2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-tert-butylacetamide
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-tert-butylacetamide
2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-tert-butylacetamide
Compound characteristics
| Compound ID: | G199-3605 |
| 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-tert-butylacetamide |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C18 H19 N5 O4 S |
| Smiles: | CC(C)(C)NC(CSC1=NC(c2ccc3c(c2)OCO3)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0302 |
| logD: | 2.0302 |
| logSw: | -2.7592 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.615 |
| InChI Key: | ZGZBTQUMZIQMMG-UHFFFAOYSA-N |