COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009827
Chemical Name: N-{[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-nitrobenzamide
Smiles: COc1ccc(cc1Cl)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 496.93
Empirical Formula: C22H17ClN6O4S

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 5.091
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 158
Number of rings: 4

     

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