tert-butyl 4-{3-[(2-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{3-[(2-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carboxylate
tert-butyl 4-{3-[(2-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | D122-0028 |
| Compound Name: | tert-butyl 4-{3-[(2-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 444.92 |
| Molecular Formula: | C21 H25 Cl N6 O3 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccccc1[Cl])nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8677 |
| logD: | 3.4136 |
| logSw: | -3.9505 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.635 |
| InChI Key: | WHVYCIDUURAXCX-UHFFFAOYSA-N |