8-(2-chloro-4-fluorophenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(2-chloro-4-fluorophenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-(2-chloro-4-fluorophenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0055 |
| Compound Name: | 8-(2-chloro-4-fluorophenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 428.85 |
| Molecular Formula: | C21 H18 Cl F N4 O3 |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2Oc2ccc(cc2[Cl])F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8511 |
| logD: | 4.8511 |
| logSw: | -4.9762 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.839 |
| InChI Key: | GWBFXWUIQYDDQD-UHFFFAOYSA-N |