1-ethyl-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-ethyl-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
1-ethyl-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-1851 |
| Compound Name: | 1-ethyl-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 456.47 |
| Molecular Formula: | C24 H23 F3 N4 O2 |
| Smiles: | CCN1C(c2c(ncn2Cc2ccc(cc2)C(F)(F)F)N(C1=O)c1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8907 |
| logD: | 4.8907 |
| logSw: | -4.5262 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.271 |
| InChI Key: | AWDINXZBMWDILA-UHFFFAOYSA-N |