2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G199-3607 |
| Compound Name: | 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C22 H19 N5 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=NC(c2ccc3c(c2)OCO3)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9888 |
| logD: | 2.9888 |
| logSw: | -3.5179 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.321 |
| InChI Key: | XIRUFPLHGTXQAL-UHFFFAOYSA-N |