3-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-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-(3-methoxypropyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V017-8592 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 479.52 |
| Molecular Formula: | C25 H29 F4 N3 O2 |
| Salt: | not_available |
| Smiles: | COCCCNC(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccc(cc1)F)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7806 |
| logD: | 3.1741 |
| logSw: | -3.8864 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.952 |
| InChI Key: | WXTCJYURTFLLIO-UHFFFAOYSA-N |