3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N-(4-fluorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N-(4-fluorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N-(4-fluorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | 6732-0199 |
| Compound Name: | 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N-(4-fluorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 422.37 |
| Molecular Formula: | C20 H15 F N6 O4 |
| Smiles: | C(c1ccc2c(c1)OCCO2)n1c2c(c(nc(C(Nc3ccc(cc3)F)=O)n2)O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 1.1816 |
| logD: | -0.6617 |
| logSw: | -2.1711 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.74 |
| InChI Key: | AJVAOYMQWZZPEL-UHFFFAOYSA-N |