COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009284
Chemical Name: 2-[(4-chlorophenyl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
Smiles: Clc1ccc(cc1)SCC(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 391.88
Empirical Formula: C18H18ClN3O3S

Physical State: Dry powder
Available Amount: 254 mg

Lipinsky:
logP: 4.591
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 94
Number of rings: 3

     

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