COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036392
Chemical Name: N-{[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-4-methoxy-3-nitrobenzamide
Smiles: COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc2c(c1)nn(n2)c1ccc(c(c1)Cl)C

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Molecular Weight: 496.93
Empirical Formula: C22H17ClN6O4S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 5.672
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 158
Number of rings: 4

     

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