COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK346380
Chemical Name: N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}-1,3-benzodioxole-5-carboxamide
Smiles: S=C(N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-])NC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 448.89
Empirical Formula: C19H17ClN4O5S

Physical State: Dry powder
Available Amount: 137 mg

Lipinsky:
logP: 2.903
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 131
Number of rings: 4

     

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