(4-{3-[(3-chlorophenyl)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-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(2,5-dimethylphenyl)methanone
(4-{3-[(3-chlorophenyl)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: | D023-0001 |
| Compound Name: | (4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(2,5-dimethylphenyl)methanone |
| Molecular Weight: | 476.96 |
| Molecular Formula: | C25 H25 Cl N6 O2 |
| Smiles: | Cc1ccc(C)c(c1)C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1cccc(c1)[Cl])nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0038 |
| logD: | 3.5497 |
| logSw: | -4.2499 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | SNBDDIVEXXFOSG-UHFFFAOYSA-N |