2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-cyanoethyl)-N-phenylacetamide
Chemical Structure Depiction of
2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-cyanoethyl)-N-phenylacetamide
2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-cyanoethyl)-N-phenylacetamide
Compound characteristics
| Compound ID: | G199-1981 |
| Compound Name: | 2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-cyanoethyl)-N-phenylacetamide |
| Molecular Weight: | 464.93 |
| Molecular Formula: | C22 H17 Cl N6 O2 S |
| Smiles: | C(CN(C(CSC1=NC(c2cccc(c2)[Cl])=NC2=CC(NN12)=O)=O)c1ccccc1)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.9982 |
| logD: | 2.9982 |
| logSw: | -3.6512 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.77 |
| InChI Key: | KQIACDFIBHRWJW-UHFFFAOYSA-N |