N-(2-cyanoethyl)-2-{[2-(4-ethoxyphenyl)-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-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-phenylacetamide
N-(2-cyanoethyl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | G199-2230 |
| Compound Name: | N-(2-cyanoethyl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C24 H22 N6 O3 S |
| Smiles: | CCOc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(N(CCC#N)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7302 |
| logD: | 2.7302 |
| logSw: | -3.1447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.894 |
| InChI Key: | LWBKSEUFWPTYLP-UHFFFAOYSA-N |