3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-1480 |
| Compound Name: | 3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 484.48 |
| Molecular Formula: | C25 H23 F3 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(CC2CCCO2)C(c2c1ncn2Cc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5786 |
| logD: | 3.5786 |
| logSw: | -3.8343 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.628 |
| InChI Key: | PMGYNHSQQNWEKF-LJQANCHMSA-N |