ethyl 1-methyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V006-9179 |
| Compound Name: | ethyl 1-methyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 480.5 |
| Molecular Formula: | C23 H23 F3 N2 O4 S |
| Smiles: | CCOC(C1C(c2ccccc2C(F)(F)F)NC(N(C)C=1COc1ccc(cc1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0075 |
| logD: | 4.9808 |
| logSw: | -4.5613 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.018 |
| InChI Key: | PHHHMDMJXARHJR-HXUWFJFHSA-N |