(4-{7-hydroxy-3-[(4-nitrophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(phenyl)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)(phenyl)methanone
(4-{7-hydroxy-3-[(4-nitrophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(phenyl)methanone
Compound characteristics
| Compound ID: | D122-0050 |
| Compound Name: | (4-{7-hydroxy-3-[(4-nitrophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(phenyl)methanone |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C23 H21 N7 O4 |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccc(cc1)[N+]([O-])=O)nn2)O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1889 |
| logD: | 1.7349 |
| logSw: | -2.3355 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.584 |
| InChI Key: | QOKOFFVTGIKBKF-UHFFFAOYSA-N |