3-(5-chloro-2-methoxyphenyl)-N-(2-methylpropyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(5-chloro-2-methoxyphenyl)-N-(2-methylpropyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(5-chloro-2-methoxyphenyl)-N-(2-methylpropyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V003-7416 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-N-(2-methylpropyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 495.97 |
| Molecular Formula: | C25 H29 Cl F3 N3 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CNC(C1Cc2cc(ccc2N2CCN(CC12)c1cc(ccc1OC)[Cl])C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.573 |
| logD: | 5.5728 |
| logSw: | -5.9576 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.818 |
| InChI Key: | JBRNAKXSGYHBTQ-UHFFFAOYSA-N |