3-[(4-chlorophenyl)methyl]-N-[2-(pyridin-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-chlorophenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-chlorophenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V004-6350 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 529 |
| Molecular Formula: | C28 H28 Cl F3 N4 O |
| Salt: | not_available |
| Smiles: | C(CNC(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccc(cc1)[Cl])C(F)(F)F)=O)c1ccccn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6795 |
| logD: | 4.185 |
| logSw: | -4.9914 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.882 |
| InChI Key: | AFEVTPWGVDUURZ-UHFFFAOYSA-N |