(2,3-dihydro-1,4-benzodioxin-6-yl)(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(2,3-dihydro-1,4-benzodioxin-6-yl)(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(2,3-dihydro-1,4-benzodioxin-6-yl)(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D203-0060 |
| Compound Name: | (2,3-dihydro-1,4-benzodioxin-6-yl)(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 486.53 |
| Molecular Formula: | C26 H26 N6 O4 |
| Smiles: | Cc1ccc(Cn2c3c(c(nc(C4CCN(CC4)C(c4ccc5c(c4)OCCO5)=O)n3)O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7695 |
| logD: | 1.3155 |
| logSw: | -2.1529 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.025 |
| InChI Key: | UAECOZTWSSLNBJ-UHFFFAOYSA-N |