2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)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-(5-propyl-1,3,4-thiadiazol-2-yl)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-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | G199-2097 |
| 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-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 471.51 |
| Molecular Formula: | C19 H17 N7 O4 S2 |
| Smiles: | CCCc1nnc(NC(CSC2=NC(c3ccc4c(c3)OCO4)=NC3=CC(NN23)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.7511 |
| logD: | 2.722 |
| logSw: | -3.2582 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.238 |
| InChI Key: | XTCFOJUDLNMPMT-UHFFFAOYSA-N |