ethyl 1-ethyl-2-oxo-6-{[4-(phenylcarbamoyl)piperazin-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-2-oxo-6-{[4-(phenylcarbamoyl)piperazin-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-2-oxo-6-{[4-(phenylcarbamoyl)piperazin-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V028-0450 |
| Compound Name: | ethyl 1-ethyl-2-oxo-6-{[4-(phenylcarbamoyl)piperazin-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 559.59 |
| Molecular Formula: | C28 H32 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(CC2)C(Nc2ccccc2)=O)=C(C(c2ccc(cc2)C(F)(F)F)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8398 |
| logD: | 2.1712 |
| logSw: | -3.8306 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.759 |
| InChI Key: | DKDUHJGFHVNAOR-DEOSSOPVSA-N |