1-ethyl-3-(2-methoxyphenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-ethyl-3-(2-methoxyphenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
1-ethyl-3-(2-methoxyphenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-2070 |
| Compound Name: | 1-ethyl-3-(2-methoxyphenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 444.41 |
| Molecular Formula: | C22 H19 F3 N4 O3 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2ccc(cc2)C(F)(F)F)N(C1=O)c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4118 |
| logD: | 3.4118 |
| logSw: | -3.6508 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.6 |
| InChI Key: | BRVJADFBDGRRDP-UHFFFAOYSA-N |