2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
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-methyl-N-phenylacetamide
2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | G199-2063 |
| 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-methyl-N-phenylacetamide |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | CN(C(CSC1=NC(c2ccc3c(c2)OCO3)=NC2=CC(NN12)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0615 |
| logD: | 2.0615 |
| logSw: | -2.7656 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.162 |
| InChI Key: | KVQNIHJCQPTFMC-UHFFFAOYSA-N |