3-(2-methylphenyl)-1-(prop-2-en-1-yl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-methylphenyl)-1-(prop-2-en-1-yl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
3-(2-methylphenyl)-1-(prop-2-en-1-yl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0189 |
| Compound Name: | 3-(2-methylphenyl)-1-(prop-2-en-1-yl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 440.42 |
| Molecular Formula: | C23 H19 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(CC=C)C(c2c1ncn2Cc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1356 |
| logD: | 4.1356 |
| logSw: | -4.2286 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.223 |
| InChI Key: | WYPONWQHEZMMKH-UHFFFAOYSA-N |