ethyl 4-(3,4-dichlorophenyl)-1-methyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3,4-dichlorophenyl)-1-methyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3,4-dichlorophenyl)-1-methyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V030-4951 |
| Compound Name: | ethyl 4-(3,4-dichlorophenyl)-1-methyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 503.3 |
| Molecular Formula: | C22 H19 Cl2 F3 N2 O4 |
| Smiles: | CCOC(C1C(c2ccc(c(c2)[Cl])[Cl])NC(N(C)C=1COc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7251 |
| logD: | 5.711 |
| logSw: | -6.151 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.018 |
| InChI Key: | ZLLRCWZUCBNSBU-IBGZPJMESA-N |