7-[(2-chlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-1897 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-3-(2,4-difluorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 428.82 |
| Molecular Formula: | C21 H15 Cl F2 N4 O2 |
| Smiles: | C=CCN1C(c2c(ncn2Cc2ccccc2[Cl])N(C1=O)c1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5371 |
| logD: | 3.5371 |
| logSw: | -3.6317 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.223 |
| InChI Key: | SVVVOPLYLVZLEH-UHFFFAOYSA-N |