ethyl 1-methyl-6-{[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-6-{[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-{[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-8674 |
| Compound Name: | ethyl 1-methyl-6-{[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 510.56 |
| Molecular Formula: | C25 H33 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(F)(F)F)NC(N(C)C=1CN1CCN(C(C)C1)C(C(C)C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1636 |
| logD: | 2.2127 |
| logSw: | -3.2239 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.469 |
| InChI Key: | UDCJLRLFLLQWJA-UHFFFAOYSA-N |