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-(propan-2-yl)phenyl]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-(propan-2-yl)phenyl]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-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | G199-3615 |
| 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-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=NC(c2ccc3c(c2)OCO3)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.958 |
| logD: | 3.958 |
| logSw: | -3.9979 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.198 |
| InChI Key: | SINANDCEOVXMTC-UHFFFAOYSA-N |