(4-tert-butylphenyl)(3-{7-hydroxy-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)(3-{7-hydroxy-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(4-tert-butylphenyl)(3-{7-hydroxy-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D122-0095 |
| Compound Name: | (4-tert-butylphenyl)(3-{7-hydroxy-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C28 H32 N6 O2 |
| Smiles: | Cc1ccccc1Cn1c2c(c(nc(C3CCCN(C3)C(c3ccc(cc3)C(C)(C)C)=O)n2)O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9899 |
| logD: | 4.1856 |
| logSw: | -4.41 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.135 |
| InChI Key: | STHNGHFLDSSXIE-NRFANRHFSA-N |