COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170559
Chemical Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Smiles: N#Cc1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 388.45
Empirical Formula: C17H20N6O3S

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 2.995
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 157
Number of rings: 3

     

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