N-[(2-fluorophenyl)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-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(2-fluorophenyl)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: | V003-1444 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 513.53 |
| Molecular Formula: | C28 H27 F4 N3 O2 |
| Smiles: | COc1cccc(c1)N1CCN2C(C1)C(Cc1cc(ccc12)C(F)(F)F)C(NCc1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6498 |
| logD: | 5.6493 |
| logSw: | -5.2562 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.761 |
| InChI Key: | YPIIMYOBUGENSG-UHFFFAOYSA-N |