3-(2-methoxyphenyl)-N-[(pyridin-4-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(2-methoxyphenyl)-N-[(pyridin-4-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-methoxyphenyl)-N-[(pyridin-4-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V009-2083 |
| Compound Name: | 3-(2-methoxyphenyl)-N-[(pyridin-4-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: | COc1ccccc1N1CCN2C(C1)C(Cc1cc(ccc12)C(F)(F)F)C(NCc1ccncc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6104 |
| logD: | 3.6071 |
| logSw: | -3.6799 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.974 |
| InChI Key: | UFOZFABJOLXNHH-UHFFFAOYSA-N |