7-[(3-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-5431 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-3-(3,4-difluorophenyl)-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 430.84 |
| Molecular Formula: | C21 H17 Cl F2 N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)N1C(c2c(ncn2Cc2cccc(c2)[Cl])N(C1=O)c1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0613 |
| logD: | 4.0613 |
| logSw: | -4.3423 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.267 |
| InChI Key: | BUCLGRTUNOWXSV-UHFFFAOYSA-N |