COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK299336
Chemical Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-4-nitrobenzamide
Smiles: N#Cc1c(NC(=O)c2ccc(c(c2)C)[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 397.5
Empirical Formula: C21H23N3O3S

Physical State: Dry powder
Available Amount: 480 mg

Lipinsky:
logP: 6.471
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 126
Number of rings: 3

     

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