COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK444342
Chemical Name: propan-2-yl2-{[(3,5-dinitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CC(OC(=O)c1c(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])sc2c1CCCC2)C

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Molecular Weight: 433.44
Empirical Formula: C19H19N3O7S

Physical State: Dry powder
Available Amount: 1077 mg

Lipinsky:
logP: 6.355
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 3

     

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