COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456998
Chemical Name: 4-(3,4-dichlorobenzyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 425.34
Empirical Formula: C18H18Cl2N4O2S

Physical State: Dry powder
Available Amount: 506 mg

Lipinsky:
logP: 3.992
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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