1-ethyl-3-(4-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-ethyl-3-(4-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
1-ethyl-3-(4-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-2045 |
| Compound Name: | 1-ethyl-3-(4-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 428.41 |
| Molecular Formula: | C22 H19 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2cccc(c2)C(F)(F)F)N(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8599 |
| logD: | 3.8599 |
| logSw: | -3.9317 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.271 |
| InChI Key: | CFJSANNXDBIJBJ-UHFFFAOYSA-N |