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-chlorophenyl)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-[(4-chlorophenyl)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-[(4-chlorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G199-3633 |
| 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-chlorophenyl)methyl]acetamide |
| Molecular Weight: | 469.9 |
| Molecular Formula: | C21 H16 Cl N5 O4 S |
| Smiles: | C(c1ccc(cc1)[Cl])NC(CSC1=NC(c2ccc3c(c2)OCO3)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8958 |
| logD: | 2.8958 |
| logSw: | -3.6281 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.52 |
| InChI Key: | OFWGDEPLTATGPN-UHFFFAOYSA-N |