COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK089941
Chemical Name: ethyl2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(c(c2)[N+](=O)[O-])OCC)sc2c1CCCC2

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Molecular Weight: 477.56
Empirical Formula: C21H23N3O6S2

Physical State: Dry powder
Available Amount: 442 mg

Lipinsky:
logP: 6.917
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 182
Number of rings: 3

     

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