(4-{3-[(3,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(2,5-dimethylphenyl)methanone
Chemical Structure Depiction of
(4-{3-[(3,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(2,5-dimethylphenyl)methanone
(4-{3-[(3,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(2,5-dimethylphenyl)methanone
Compound characteristics
| Compound ID: | D023-0002 |
| Compound Name: | (4-{3-[(3,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(2,5-dimethylphenyl)methanone |
| Molecular Weight: | 478.5 |
| Molecular Formula: | C25 H24 F2 N6 O2 |
| Smiles: | Cc1ccc(C)c(c1)C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc(c(c1)F)F)nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5738 |
| logD: | 3.1197 |
| logSw: | -3.4112 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | QHHBDPDBCDCMNV-UHFFFAOYSA-N |