ethyl 1-methyl-4-(2-methylphenyl)-6-[(3-methyl-4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-4-(2-methylphenyl)-6-[(3-methyl-4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-4-(2-methylphenyl)-6-[(3-methyl-4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V011-0392 |
| Compound Name: | ethyl 1-methyl-4-(2-methylphenyl)-6-[(3-methyl-4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 573.62 |
| Molecular Formula: | C29 H34 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccccc2C)NC(N(C)C=1CN1CCN(C(C)C1)C(Nc1ccc(cc1)C(F)(F)F)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4305 |
| logD: | 2.6612 |
| logSw: | -4.0387 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.018 |
| InChI Key: | UHSIEQHRHCFPLG-UHFFFAOYSA-N |