3-(2-chlorophenyl)-7-[(3,4-difluorophenyl)methyl]-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-chlorophenyl)-7-[(3,4-difluorophenyl)methyl]-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
3-(2-chlorophenyl)-7-[(3,4-difluorophenyl)methyl]-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0534 |
| Compound Name: | 3-(2-chlorophenyl)-7-[(3,4-difluorophenyl)methyl]-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 444.87 |
| Molecular Formula: | C22 H19 Cl F2 N4 O2 |
| Smiles: | CC(C)CN1C(c2c(ncn2Cc2ccc(c(c2)F)F)N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3041 |
| logD: | 4.3041 |
| logSw: | -4.3699 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.245 |
| InChI Key: | BCTIVWXWEQGKDB-UHFFFAOYSA-N |