3-[(4-fluorophenyl)methyl]-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-fluorophenyl)methyl]-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-fluorophenyl)methyl]-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: | V016-8258 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-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: | 517.59 |
| Molecular Formula: | C27 H27 F4 N3 O S |
| Salt: | not_available |
| Smiles: | C(CNC(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccc(cc1)F)C(F)(F)F)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9808 |
| logD: | 4.3744 |
| logSw: | -4.7234 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.3567 |
| InChI Key: | LJTKYKHOOQYBBA-UHFFFAOYSA-N |