N-(2-cyanoethyl)-2-{[2-(furan-2-yl)-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-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-phenylacetamide
N-(2-cyanoethyl)-2-{[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | G199-1750 |
| Compound Name: | N-(2-cyanoethyl)-2-{[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C20 H16 N6 O3 S |
| Smiles: | C(CN(C(CSC1=NC(c2ccco2)=NC2=CC(NN12)=O)=O)c1ccccc1)C#N |
| Stereo: | ACHIRAL |
| logP: | 1.4603 |
| logD: | 1.4603 |
| logSw: | -2.078 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.348 |
| InChI Key: | HBERAUIZZNKPGK-UHFFFAOYSA-N |