3-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V031-0310 |
| Compound Name: | 3-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 544.02 |
| Molecular Formula: | C29 H29 Cl F3 N3 O2 |
| Salt: | not_available |
| Smiles: | COc1ccccc1CCNC(C1Cc2cc(ccc2N2CCN(CC12)c1ccccc1[Cl])C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1002 |
| logD: | 6.1002 |
| logSw: | -6.1256 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.388 |
| InChI Key: | JRTXDQPSZJSPAG-UHFFFAOYSA-N |