N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(2-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(2-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(2-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Compound characteristics
| Compound ID: | C656-0199 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(2-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide |
| Molecular Weight: | 436.4 |
| Molecular Formula: | C21 H17 F N6 O4 |
| Smiles: | C(C(Nc1ccc2c(c1)OCCO2)=O)N1C=Nc2c(C1=O)nnn2Cc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 1.0712 |
| logD: | 1.0712 |
| logSw: | -2.2358 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.994 |
| InChI Key: | VUAIOKYIBFRYIM-UHFFFAOYSA-N |