ethyl 4-(3,4-dichlorophenyl)-1-ethyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3,4-dichlorophenyl)-1-ethyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3,4-dichlorophenyl)-1-ethyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V030-4902 |
| Compound Name: | ethyl 4-(3,4-dichlorophenyl)-1-ethyl-2-oxo-6-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 517.33 |
| Molecular Formula: | C23 H21 Cl2 F3 N2 O4 |
| Smiles: | CCN1C(COc2cccc(c2)C(F)(F)F)=C(C(c2ccc(c(c2)[Cl])[Cl])NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3016 |
| logD: | 6.2965 |
| logSw: | -6.4159 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.977 |
| InChI Key: | PVQHSCOPOPXAOH-FQEVSTJZSA-N |