COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK083320
Chemical Name: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)N/N=C/c1ccccc1[N+](=O)[O-]

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Molecular Weight: 506.97
Empirical Formula: C24H19ClN6O3S

Physical State: Dry powder
Available Amount: 319 mg

Lipinsky:
logP: 8.28
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 143
Number of rings: 4

     

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