COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK026993
Chemical Name: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 549.05
Empirical Formula: C27H25ClN6O3S

Physical State: Dry powder
Available Amount: 292 mg

Lipinsky:
logP: 9.101
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 143
Number of rings: 4

     

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