tert-butyl 4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carboxylate
tert-butyl 4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | D122-0054 |
| Compound Name: | tert-butyl 4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Smiles: | Cc1ccc(Cn2c3c(c(nc(C4CCN(CC4)C(=O)OC(C)(C)C)n3)O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6348 |
| logD: | 3.1808 |
| logSw: | -3.597 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.635 |
| InChI Key: | NHLFNWPJTSOOPU-UHFFFAOYSA-N |