COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK025237
Chemical Name: N-{[2-(4-chlorophenyl)-2H-benzotriazol-5-yl]carbamothioyl}-4-nitrobenzamide
Smiles: S=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc2c(c1)nn(n2)c1ccc(cc1)Cl

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Molecular Weight: 452.88
Empirical Formula: C20H13ClN6O3S

Physical State: Dry powder
Available Amount: 258 mg

Lipinsky:
logP: 5.229
Rotatable bonds: 0
H-donors: 2
H-acceptors: 3
PSA: 149
Number of rings: 4

     

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