2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)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-(3-chloro-4-methoxyphenyl)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-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G199-3620 |
| 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-(3-chloro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 485.9 |
| Molecular Formula: | C21 H16 Cl N5 O5 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSC1=NC(c2ccc3c(c2)OCO3)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1304 |
| logD: | 3.1303 |
| logSw: | -3.6282 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.828 |
| InChI Key: | XTJVPLGAVVBLDD-UHFFFAOYSA-N |