ethyl 1-ethyl-6-{[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-6-{[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-6-{[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1632 |
| Compound Name: | ethyl 1-ethyl-6-{[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 538.61 |
| Molecular Formula: | C27 H37 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(C(C)C2)C(CC(C)C)=O)=C(C(c2ccc(cc2)C(F)(F)F)NC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.161 |
| logD: | 3.4901 |
| logSw: | -3.947 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.9 |
| InChI Key: | LTKLABCEVKKJNQ-UHFFFAOYSA-N |