N-(2-cyanoethyl)-2-{[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-2-{[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-phenylacetamide
N-(2-cyanoethyl)-2-{[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | G199-1518 |
| Compound Name: | N-(2-cyanoethyl)-2-{[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C23 H20 N6 O3 S |
| Smiles: | COc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(N(CCC#N)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3436 |
| logD: | 2.3436 |
| logSw: | -2.5893 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.314 |
| InChI Key: | KGJKGWKHJISEED-UHFFFAOYSA-N |