N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-3188 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C21 H16 F N5 O4 S |
| Smiles: | C1COc2cc(ccc2O1)NC(CSC1=NC(c2ccccc2F)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6174 |
| logD: | 1.6173 |
| logSw: | -2.7635 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.905 |
| InChI Key: | IXAAQHAFDVRUDH-UHFFFAOYSA-N |