COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK068183
Chemical Name: 3-bromo-N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}benzamide
Smiles: Brc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-]

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Molecular Weight: 483.77
Empirical Formula: C18H16BrClN4O3S

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 4.464
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 113
Number of rings: 3

     

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