3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-1421 |
| Compound Name: | 3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 488.44 |
| Molecular Formula: | C24 H20 F4 N4 O3 |
| Salt: | not_available |
| Smiles: | C1CC(CN2C(c3c(ncn3Cc3cccc(c3)C(F)(F)F)N(C2=O)c2ccc(cc2)F)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1795 |
| logD: | 3.1795 |
| logSw: | -3.1984 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.929 |
| InChI Key: | DCLKPESVTTYKJD-LJQANCHMSA-N |