7-benzyl-3-methyl-1-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-3-methyl-1-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-3-methyl-1-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-0508 |
| Compound Name: | 7-benzyl-3-methyl-1-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 414.39 |
| Molecular Formula: | C21 H17 F3 N4 O2 |
| Smiles: | CN1C(N(Cc2cccc(c2)C(F)(F)F)C(c2c1ncn2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.455 |
| logD: | 3.455 |
| logSw: | -3.8924 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.923 |
| InChI Key: | JLGIWOHNZXNFHN-UHFFFAOYSA-N |