(4-tert-butylphenyl)(3-{3-[(3-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)(3-{3-[(3-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(4-tert-butylphenyl)(3-{3-[(3-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D122-0094 |
| Compound Name: | (4-tert-butylphenyl)(3-{3-[(3-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C27 H29 F N6 O2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N1CCCC(C1)c1nc(c2c(n1)n(Cc1cccc(c1)F)nn2)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.321 |
| logD: | 3.5168 |
| logSw: | -4.2345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.135 |
| InChI Key: | HVOJDAIVLGNXQO-IBGZPJMESA-N |