COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL003918
Chemical Name: ethyl2-{[(4-nitrophenyl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 410.47
Empirical Formula: C17H18N2O6S2

Physical State: Dry powder
Available Amount: 3390 mg

Lipinsky:
logP: 6.407
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 154
Number of rings: 3

     

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