3-(2,4-difluorophenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2,4-difluorophenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(2,4-difluorophenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V016-7165 |
| Compound Name: | 3-(2,4-difluorophenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 436.42 |
| Molecular Formula: | C23 H18 F2 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(Cn1cnc2c1C(N(CC=C)C(N2c1ccc(cc1F)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8117 |
| logD: | 2.8117 |
| logSw: | -3.1526 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.47 |
| InChI Key: | KPBWTMCYYSJBIR-UHFFFAOYSA-N |