COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK100957
Chemical Name: 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-nitrophenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 544.63
Empirical Formula: C28H28N6O4S

Physical State: Dry powder
Available Amount: 410 mg

Lipinsky:
logP: 8.659
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 152
Number of rings: 4

     

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