ethyl 4-(2-chlorophenyl)-1-methyl-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-(2-chlorophenyl)-1-methyl-2-oxo-6-[(4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2-chlorophenyl)-1-methyl-2-oxo-6-[(4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-5965 |
| Compound Name: | ethyl 4-(2-chlorophenyl)-1-methyl-2-oxo-6-[(4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 580.01 |
| Molecular Formula: | C27 H29 Cl F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccccc2[Cl])NC(N(C)C=1CN1CCN(CC1)C(Nc1ccc(cc1)C(F)(F)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1309 |
| logD: | 2.3374 |
| logSw: | -4.3347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.8 |
| InChI Key: | LKVQZQPBXIKNHI-QHCPKHFHSA-N |