methyl 4-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzoate
Chemical Structure Depiction of
methyl 4-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzoate
methyl 4-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzoate
Compound characteristics
| Compound ID: | D203-0075 |
| Compound Name: | methyl 4-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzoate |
| Molecular Weight: | 490.49 |
| Molecular Formula: | C25 H23 F N6 O4 |
| Smiles: | COC(c1ccc(cc1)C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc(cc1)F)nn2)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4881 |
| logD: | 2.0341 |
| logSw: | -2.3533 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.376 |
| InChI Key: | QPRWZKVWGMKABE-UHFFFAOYSA-N |