methyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[4-(trifluoromethyl)anilino]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[4-(trifluoromethyl)anilino]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[4-(trifluoromethyl)anilino]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4602 |
| Compound Name: | methyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[4-(trifluoromethyl)anilino]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 433.43 |
| Molecular Formula: | C22 H22 F3 N3 O3 |
| Smiles: | Cc1ccc(C)c(c1)C1C(=C(CNc2ccc(cc2)C(F)(F)F)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4993 |
| logD: | 4.2625 |
| logSw: | -4.2827 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.707 |
| InChI Key: | QGQLQTRCQCZBFJ-LJQANCHMSA-N |