2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Compound characteristics
Compound ID: | G199-3129 |
Compound Name: | 2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide |
Molecular Weight: | 439.92 |
Molecular Formula: | C21 H18 Cl N5 O2 S |
Smiles: | C(CNC(CSC1=NC(c2ccc(cc2)[Cl])=NC2=CC(NN12)=O)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 2.774 |
logD: | 2.7739 |
logSw: | -3.5688 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.246 |
InChI Key: | JGPKNJILGXYRND-UHFFFAOYSA-N |