1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-4801 |
| Compound Name: | 1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 486.49 |
| Molecular Formula: | C25 H25 F3 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(CCOC)C(c2c1ncn2Cc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4377 |
| logD: | 4.4377 |
| logSw: | -4.2857 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.867 |
| InChI Key: | COUOZSJNYBSYIA-UHFFFAOYSA-N |