8-(4-chlorophenoxy)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-chlorophenoxy)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-chlorophenoxy)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0528 |
| Compound Name: | 8-(4-chlorophenoxy)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 414.82 |
| Molecular Formula: | C20 H16 Cl F N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)F)Oc2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6585 |
| logD: | 4.6585 |
| logSw: | -4.8722 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.752 |
| InChI Key: | XRFSQAGPCSMYRB-UHFFFAOYSA-N |