2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[(1-methyl-1H-benzimidazol-2-yl)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-[(1-methyl-1H-benzimidazol-2-yl)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-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | G199-3602 |
| 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-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide |
| Molecular Weight: | 489.51 |
| Molecular Formula: | C23 H19 N7 O4 S |
| Smiles: | Cn1c2ccccc2nc1CNC(CSC1=NC(c2ccc3c(c2)OCO3)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1609 |
| logD: | 2.1534 |
| logSw: | -2.8249 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.506 |
| InChI Key: | WLEIGRFKMDMOEI-UHFFFAOYSA-N |