N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F424-0188 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C21 H16 F N5 O4 S |
| Smiles: | C1COc2cc(ccc2O1)NC(CSC1=NNC(c2cc(c3ccc(cc3)F)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4884 |
| logD: | 2.4869 |
| logSw: | -2.9988 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.287 |
| InChI Key: | GHSGMLZMTFPLKT-UHFFFAOYSA-N |