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 |