(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(2,3-dihydro-1,4-benzodioxin-6-yl)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)(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
Compound characteristics
| Compound ID: | D203-0050 |
| Compound Name: | (4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(2,3-dihydro-1,4-benzodioxin-6-yl)methanone |
| Molecular Weight: | 506.95 |
| Molecular Formula: | C25 H23 Cl N6 O4 |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1cccc(c1)[Cl])nn2)O)C(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0016 |
| logD: | 1.5475 |
| logSw: | -2.6865 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.025 |
| InChI Key: | CPJJUKJDHBUTTD-UHFFFAOYSA-N |