ethyl 1-ethyl-6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-3767 |
| Compound Name: | ethyl 1-ethyl-6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 562.56 |
| Molecular Formula: | C28 H30 F4 N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(CC2)C(c2ccccc2F)=O)=C(C(c2ccc(cc2)C(F)(F)F)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8067 |
| logD: | 3.3612 |
| logSw: | -3.7993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.938 |
| InChI Key: | KBJWUNXLTLZAOB-XMMPIXPASA-N |