N-(2-cyanoethyl)-2-[(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N-phenylacetamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-2-[(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N-phenylacetamide
N-(2-cyanoethyl)-2-[(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N-phenylacetamide
Compound characteristics
| Compound ID: | G199-0010 |
| Compound Name: | N-(2-cyanoethyl)-2-[(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N-phenylacetamide |
| Molecular Weight: | 430.49 |
| Molecular Formula: | C22 H18 N6 O2 S |
| Smiles: | C(CN(C(CSC1=NC(c2ccccc2)=NC2=CC(NN12)=O)=O)c1ccccc1)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.2562 |
| logD: | 2.2562 |
| logSw: | -2.4985 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.77 |
| InChI Key: | UGXMALUIQCTBIE-UHFFFAOYSA-N |