ethyl 6-{[(4-methylphenyl)sulfanyl]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(4-methylphenyl)sulfanyl]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(4-methylphenyl)sulfanyl]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-4664 |
| Compound Name: | ethyl 6-{[(4-methylphenyl)sulfanyl]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 450.48 |
| Molecular Formula: | C22 H21 F3 N2 O3 S |
| Smiles: | CCOC(C1C(c2ccccc2C(F)(F)F)NC(NC=1CSc1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0572 |
| logD: | 4.7936 |
| logSw: | -4.613 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.781 |
| InChI Key: | LJMYCFABCAJYIO-LJQANCHMSA-N |