ethyl 1-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperidine-4-carboxylate
ethyl 1-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V009-2045 |
| Compound Name: | ethyl 1-[3-(pyrimidin-2-yl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperidine-4-carboxylate |
| Molecular Weight: | 517.55 |
| Molecular Formula: | C26 H30 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(C1Cc2cc(ccc2N2CCN(CC12)c1ncccn1)C(F)(F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9795 |
| logD: | 3.9795 |
| logSw: | -4.1104 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.568 |
| InChI Key: | YBRPPSLZEBEMDS-UHFFFAOYSA-N |