3-(4-fluorophenyl)-1-(2-methoxyethyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-fluorophenyl)-1-(2-methoxyethyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
3-(4-fluorophenyl)-1-(2-methoxyethyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-5179 |
| Compound Name: | 3-(4-fluorophenyl)-1-(2-methoxyethyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 462.4 |
| Molecular Formula: | C22 H18 F4 N4 O3 |
| Salt: | not_available |
| Smiles: | COCCN1C(c2c(ncn2Cc2ccc(cc2)C(F)(F)F)N(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1285 |
| logD: | 3.1285 |
| logSw: | -3.1056 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.867 |
| InChI Key: | JNDKICRREBBIJR-UHFFFAOYSA-N |