8-(4-bromophenoxy)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-bromophenoxy)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
8-(4-bromophenoxy)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0095 |
| Compound Name: | 8-(4-bromophenoxy)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 509.28 |
| Molecular Formula: | C21 H16 Br F3 N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)C(F)(F)F)Oc2ccc(cc2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6254 |
| logD: | 5.6254 |
| logSw: | -5.5774 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.752 |
| InChI Key: | GHJPRMRWCRNWFG-UHFFFAOYSA-N |