8-(3,4-dichlorophenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(3,4-dichlorophenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(3,4-dichlorophenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0147 |
| Compound Name: | 8-(3,4-dichlorophenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 449.27 |
| Molecular Formula: | C20 H15 Cl2 F N4 O3 |
| Smiles: | CN1C(N(Cc2ccc(cc2)F)C(c2c1nc(n2C)Oc1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8556 |
| logD: | 4.8556 |
| logSw: | -4.9349 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.797 |
| InChI Key: | FQFHMHGIWCGCPH-UHFFFAOYSA-N |