5-(4-Bromophenylselanyl)-1-(toluene-4-sulfonyl)-1H-tetrazole

ID: ALA2262040

PubChem CID: 42642084

Max Phase: Preclinical

Molecular Formula: C14H11BrN4O2SSe

Molecular Weight: 458.20

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  Cc1ccc(S(=O)(=O)n2nnnc2[Se]c2ccc(Br)cc2)cc1

Standard InChI:  InChI=1S/C14H11BrN4O2SSe/c1-10-2-6-12(7-3-10)22(20,21)19-14(16-17-18-19)23-13-8-4-11(15)5-9-13/h2-9H,1H3

Standard InChI Key:  RVWXKXXQOZFDDH-UHFFFAOYSA-N

Molfile:  

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   24.0149   -2.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0138   -3.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7218   -4.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4315   -3.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4287   -2.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7200   -2.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7176   -1.6919    0.0000 Se  0  0  0  0  0  2  0  0  0  0  0  0
   25.4243   -1.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1997   -1.5373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6815   -0.8761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2003   -0.2142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4227   -0.4687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.4505   -2.3147    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.2675   -2.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6539   -3.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4701   -3.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8963   -2.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5004   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6855   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6647   -2.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6783   -3.0967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7133   -2.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7216   -4.9636    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  9 10  1  0
  8  9  1  0
 10 11  2  0
 11 12  1  0
 12  8  2  0
  9 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 13 20  2  0
 13 21  2  0
 17 22  1  0
  3 23  1  0
M  END

Alternative Forms

1. Parent:

   

   ALA2262040

   5-(4-Bromophenylselanyl)-1-(toluene-4-sulfonyl)-1h-tetrazole

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 458.20

Molecular Weight (Monoisotopic): 457.8951

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References

1. Yldrr Y, Us MF, Colak N, Ozkan H, Yavuz S, Disli A, Ozturk S, Turker L.  (2009)  The synthesis and investigation of the antimicrobial activity of some new phenylselanyl-1-(toluene-4-sulfonyl)-1H-tetrazole derivatives,  18  (2): [10.1007/s00044-008-9110-7]

Source

Source(1):

• Scientific Literature