(2,4-dichlorophenyl)(4-{3-[(furan-2-yl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(2,4-dichlorophenyl)(4-{3-[(furan-2-yl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(2,4-dichlorophenyl)(4-{3-[(furan-2-yl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D023-0052 |
| Compound Name: | (2,4-dichlorophenyl)(4-{3-[(furan-2-yl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 473.32 |
| Molecular Formula: | C21 H18 Cl2 N6 O3 |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccco1)nn2)O)C(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9284 |
| logD: | 2.4743 |
| logSw: | -3.4777 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.951 |
| InChI Key: | HHHVTURQCNOIJO-UHFFFAOYSA-N |