(4-{7-hydroxy-3-[(4-nitrophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
Chemical Structure Depiction of
(4-{7-hydroxy-3-[(4-nitrophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
(4-{7-hydroxy-3-[(4-nitrophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | D122-0092 |
| Compound Name: | (4-{7-hydroxy-3-[(4-nitrophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C24 H23 N7 O4 |
| Smiles: | Cc1ccc(cc1)C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc(cc1)[N+]([O-])=O)nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7173 |
| logD: | 2.2633 |
| logSw: | -2.7509 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.584 |
| InChI Key: | HTVVASDAFWLPAK-UHFFFAOYSA-N |