ethyl 4-(3-chlorophenyl)-1-ethyl-2-oxo-6-[(4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-chlorophenyl)-1-ethyl-2-oxo-6-[(4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3-chlorophenyl)-1-ethyl-2-oxo-6-[(4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-2487 |
| Compound Name: | ethyl 4-(3-chlorophenyl)-1-ethyl-2-oxo-6-[(4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 594.03 |
| Molecular Formula: | C28 H31 Cl F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(CC2)C(Nc2ccc(cc2)C(F)(F)F)=O)=C(C(c2cccc(c2)[Cl])NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7331 |
| logD: | 3.0645 |
| logSw: | -4.8192 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.759 |
| InChI Key: | FUMLWOFQIDZJFE-DEOSSOPVSA-N |