COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK852114
Chemical Name: 2-({3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazol-5-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide
Smiles: COc1cc(/C=C/c2n[nH]c(n2)SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-])ccc1OC

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Molecular Weight: 455.49
Empirical Formula: C21H21N5O5S

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 4.967
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 160
Number of rings: 3

     

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