1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8016-2600 |
| Compound Name: | 1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 338.29 |
| Molecular Formula: | C15 H13 F3 N4 O2 |
| Smiles: | CN1C(c2c(ncn2Cc2cccc(c2)C(F)(F)F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1326 |
| logD: | 2.1326 |
| logSw: | -2.6217 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.96 |
| InChI Key: | ZWRIANJZNDIMFH-UHFFFAOYSA-N |