7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[3-(trifluoromethyl)phenoxy]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[3-(trifluoromethyl)phenoxy]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[3-(trifluoromethyl)phenoxy]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 8017-5163 |
Compound Name: | 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[3-(trifluoromethyl)phenoxy]-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 464.83 |
Molecular Formula: | C21 H16 Cl F3 N4 O3 |
Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Cl])Oc2cccc(c2)C(F)(F)F)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 5.3665 |
logD: | 5.3665 |
logSw: | -6.1237 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 49.752 |
InChI Key: | DPGYNTYRFXUJIX-UHFFFAOYSA-N |