COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK420300
Chemical Name: ethyl6-tert-butyl-2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])C)sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 444.55
Empirical Formula: C23H28N2O5S

Physical State: Dry powder
Available Amount: 2483 mg

Lipinsky:
logP: 8.339
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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