COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK103751
Chemical Name: 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(4-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)N/N=C\c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 528.63
Empirical Formula: C28H28N6O3S

Physical State: Dry powder
Available Amount: 379 mg

Lipinsky:
logP: 9.024
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 143
Number of rings: 4

     

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