(2-chlorophenyl)(4-{7-hydroxy-3-[(3-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(2-chlorophenyl)(4-{7-hydroxy-3-[(3-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(2-chlorophenyl)(4-{7-hydroxy-3-[(3-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D122-0036 |
| Compound Name: | (2-chlorophenyl)(4-{7-hydroxy-3-[(3-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 478.94 |
| Molecular Formula: | C24 H23 Cl N6 O3 |
| Smiles: | COc1cccc(Cn2c3c(c(nc(C4CCN(CC4)C(c4ccccc4[Cl])=O)n3)O)nn2)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8376 |
| logD: | 2.3836 |
| logSw: | -3.3212 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.746 |
| InChI Key: | CHCOUWWMNHNKEC-UHFFFAOYSA-N |