COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK002753
Chemical Name: N-{[2-(4-chlorophenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-4-nitrobenzamide
Smiles: S=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1cc2nn(nc2cc1C)c1ccc(cc1)Cl

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Molecular Weight: 466.91
Empirical Formula: C21H15ClN6O3S

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 5.689
Rotatable bonds: 0
H-donors: 2
H-acceptors: 3
PSA: 149
Number of rings: 4

     

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