8-(4-chloro-3,5-dimethylphenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-chloro-3,5-dimethylphenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-chloro-3,5-dimethylphenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0195 |
| Compound Name: | 8-(4-chloro-3,5-dimethylphenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 442.88 |
| Molecular Formula: | C22 H20 Cl F N4 O3 |
| Smiles: | Cc1cc(cc(C)c1[Cl])Oc1nc2c(C(N(Cc3ccc(cc3)F)C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 5.138 |
| logD: | 5.1378 |
| logSw: | -5.549 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.797 |
| InChI Key: | AOUHASLIPRCJAI-UHFFFAOYSA-N |