COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456200
Chemical Name: ethyl2-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)Nc2cc(ccc2OC)[N+](=O)[O-])sc2c1CCCCC2

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Molecular Weight: 449.55
Empirical Formula: C20H23N3O5S2

Physical State: Dry powder
Available Amount: 396 mg

Lipinsky:
logP: 6.981
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 165
Number of rings: 3

     

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