3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | V024-1431 |
Compound Name: | 3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 484.48 |
Molecular Formula: | C25 H23 F3 N4 O3 |
Salt: | not_available |
Smiles: | Cc1ccccc1N1C(N(CC2CCCO2)C(c2c1ncn2Cc1ccc(cc1)C(F)(F)F)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.6945 |
logD: | 3.6945 |
logSw: | -3.8805 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 50.628 |
InChI Key: | KOBXMGWLTSKQPV-LJQANCHMSA-N |