COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL222828
Chemical Name: ethyl2-{[N-(2-methyl-5-nitrophenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CN(S(=O)(=O)C)c2cc(ccc2C)[N+](=O)[O-])sc2c1CCCC2

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Molecular Weight: 495.58
Empirical Formula: C21H25N3O7S2

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 5.393
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 3

     

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