ethyl 6-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-0967 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 579.02 |
| Molecular Formula: | C28 H30 Cl F3 N4 O4 |
| Smiles: | CCN1C(CN2CCN(CC2)C(c2ccc(cc2)[Cl])=O)=C(C(c2ccccc2C(F)(F)F)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3453 |
| logD: | 3.8997 |
| logSw: | -4.5349 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.938 |
| InChI Key: | BRMHJVHHLSKRSE-DEOSSOPVSA-N |