3-(4-methylphenyl)-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-(4-methylphenyl)-N-[2-(thiophen-2-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(4-methylphenyl)-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: | V003-7389 |
| Compound Name: | 3-(4-methylphenyl)-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: | 499.6 |
| Molecular Formula: | C27 H28 F3 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)N1CCN2C(C1)C(Cc1cc(ccc12)C(F)(F)F)C(NCCc1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8449 |
| logD: | 5.8428 |
| logSw: | -5.3694 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.0766 |
| InChI Key: | DXLQKHLFXVGHGJ-UHFFFAOYSA-N |