7-[(2,4-difluorophenyl)methyl]-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2,4-difluorophenyl)methyl]-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2,4-difluorophenyl)methyl]-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-1814 |
| Compound Name: | 7-[(2,4-difluorophenyl)methyl]-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C22 H18 F2 N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(CC=C)C(c2c1ncn2Cc1ccc(cc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6073 |
| logD: | 3.6073 |
| logSw: | -3.7162 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.223 |
| InChI Key: | JQWOZBCBLDLXCJ-UHFFFAOYSA-N |