N-(4-butylphenyl)-2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-butylphenyl)-2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
N-(4-butylphenyl)-2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | F424-0196 |
Compound Name: | N-(4-butylphenyl)-2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide |
Molecular Weight: | 451.52 |
Molecular Formula: | C23 H22 F N5 O2 S |
Smiles: | CCCCc1ccc(cc1)NC(CSC1=NNC(c2cc(c3ccc(cc3)F)nn12)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.4851 |
logD: | 5.4835 |
logSw: | -5.3122 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.464 |
InChI Key: | JMTFLWBUYYGDQL-UHFFFAOYSA-N |