3-(2-phenylethyl)-N-[2-(thiophen-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-(thiophen-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-(thiophen-2-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V006-1314 |
| Compound Name: | 3-(2-phenylethyl)-N-[2-(thiophen-2-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C28 H30 F3 N3 O S |
| Salt: | not_available |
| Smiles: | C(CN1CCN2C(C1)C(Cc1cc(ccc12)C(F)(F)F)C(NCCc1cccs1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2331 |
| logD: | 4.0252 |
| logSw: | -5.3202 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.3351 |
| InChI Key: | XCNDMYKLQOKWQU-UHFFFAOYSA-N |