COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK440915
Chemical Name: methyl2-{[(4-chloro-2-nitrophenyl)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)c1ccc(cc1[N+](=O)[O-])Cl

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Molecular Weight: 422.89
Empirical Formula: C19H19ClN2O5S

Physical State: Dry powder
Available Amount: 510 mg

Lipinsky:
logP: 6.879
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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