COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK451957
Chemical Name: butyl2-{[(3,5-dinitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCCCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 447.47
Empirical Formula: C20H21N3O7S

Physical State: Dry powder
Available Amount: 218 mg

Lipinsky:
logP: 7.07
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 3

     

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