8-(4-fluorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-fluorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-fluorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | C406-0014 |
Compound Name: | 8-(4-fluorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 398.37 |
Molecular Formula: | C20 H16 F2 N4 O3 |
Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)Oc2ccc(cc2)F)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.3419 |
logD: | 4.3419 |
logSw: | -4.4074 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 49.752 |
InChI Key: | QSCBKVHQJANHPL-UHFFFAOYSA-N |