N-[(furan-2-yl)methyl]-3-(3-methoxyphenyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-3-(3-methoxyphenyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(furan-2-yl)methyl]-3-(3-methoxyphenyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V003-1372 |
| Compound Name: | N-[(furan-2-yl)methyl]-3-(3-methoxyphenyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 485.51 |
| Molecular Formula: | C26 H26 F3 N3 O3 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)N1CCN2C(C1)C(Cc1cc(ccc12)C(F)(F)F)C(NCc1ccco1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.026 |
| logD: | 5.0256 |
| logSw: | -4.5421 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.509 |
| InChI Key: | AWBISGBUAAWCTJ-UHFFFAOYSA-N |