8-[2-(2,4-dichlorophenoxy)ethoxy]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[2-(2,4-dichlorophenoxy)ethoxy]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[2-(2,4-dichlorophenoxy)ethoxy]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0290 |
| Compound Name: | 8-[2-(2,4-dichlorophenoxy)ethoxy]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 493.32 |
| Molecular Formula: | C22 H19 Cl2 F N4 O4 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)F)OCCOc2ccc(cc2[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8625 |
| logD: | 4.8625 |
| logSw: | -4.8579 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.655 |
| InChI Key: | QGUAOYCFCICBBP-UHFFFAOYSA-N |