7-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V016-6926 |
| Compound Name: | 7-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 456.42 |
| Molecular Formula: | C23 H19 F3 N4 O3 |
| Salt: | not_available |
| Smiles: | C1CC(CN2C(c3c(ncn3Cc3c(cccc3F)F)N(C2=O)c2ccc(cc2)F)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5631 |
| logD: | 2.5631 |
| logSw: | -2.4912 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.929 |
| InChI Key: | HBLUSDLMOQASEK-MRXNPFEDSA-N |