COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK421614
Chemical Name: ethyl2-{[(3,5-dinitrophenyl)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])sc2c1CCC(C2)CC

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Molecular Weight: 447.47
Empirical Formula: C20H21N3O7S

Physical State: Dry powder
Available Amount: 1802 mg

Lipinsky:
logP: 7.031
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 3

     

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