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-methoxyphenyl)methyl]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-methoxyphenyl)methyl]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-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G199-3635 |
| 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-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C22 H19 N5 O5 S |
| Smiles: | COc1cccc(CNC(CSC2=NC(c3ccc4c(c3)OCO4)=NC3=CC(NN23)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.3984 |
| logD: | 2.3984 |
| logSw: | -2.7816 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.064 |
| InChI Key: | OYCAMLVXOHQYBC-UHFFFAOYSA-N |