3-(2-phenylethyl)-N-[2-(pyridin-2-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(2-phenylethyl)-N-[2-(pyridin-2-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-phenylethyl)-N-[2-(pyridin-2-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V006-1242 |
| Compound Name: | 3-(2-phenylethyl)-N-[2-(pyridin-2-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 508.59 |
| Molecular Formula: | C29 H31 F3 N4 O |
| Salt: | not_available |
| Smiles: | C(CN1CCN2C(C1)C(Cc1cc(ccc12)C(F)(F)F)C(NCCc1ccccn1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3661 |
| logD: | 3.1581 |
| logSw: | -4.255 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.86 |
| InChI Key: | NXKQCAHDPXTDNM-UHFFFAOYSA-N |