1-benzyl-7-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-benzyl-7-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
1-benzyl-7-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-1822 |
| Compound Name: | 1-benzyl-7-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C26 H20 F2 N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(Cc2ccccc2)C(c2c1ncn2Cc1ccc(c(c1)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6063 |
| logD: | 4.6063 |
| logSw: | -4.3968 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.973 |
| InChI Key: | VWQBFPSBGHMNAE-UHFFFAOYSA-N |