3-(4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V004-7729 |
| Compound Name: | 3-(4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 496.53 |
| Molecular Formula: | C27 H27 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)N1CCN2C(C1)C(Cc1cc(ccc12)C(F)(F)F)C(NCc1cccnc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0436 |
| logD: | 4.0411 |
| logSw: | -3.9574 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.278 |
| InChI Key: | LCQQBSDQSFFKDT-UHFFFAOYSA-N |