COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK100802
Chemical Name: 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2Z)-3-(furan-2-yl)prop-2-en-1-ylidene]acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/C=C\c2ccco2)nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 515.64
Empirical Formula: C28H29N5O3S

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 8.543
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 119
Number of rings: 4

     

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