ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V028-0842 |
| Compound Name: | ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 511.54 |
| Molecular Formula: | C25 H32 F3 N3 O5 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCC(CC2)C(=O)OCC)=C(C(c2ccc(cc2)C(F)(F)F)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8644 |
| logD: | 0.5165 |
| logSw: | -3.8 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.235 |
| InChI Key: | ZMBSHERITMAWOK-NRFANRHFSA-N |