N-[2-(4-chlorophenyl)ethyl]-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-[2-(4-chlorophenyl)ethyl]-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-2977 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C22 H20 Cl N5 O2 S |
| Smiles: | Cc1ccccc1C1=NC2=CC(NN2C(=N1)SCC(NCCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0073 |
| logD: | 3.0073 |
| logSw: | -3.7689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.246 |
| InChI Key: | XHLLMRGWESLQCW-UHFFFAOYSA-N |