3-(2-phenoxyethyl)-N-[(pyridin-2-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-phenoxyethyl)-N-[(pyridin-2-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-phenoxyethyl)-N-[(pyridin-2-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V002-0897 |
| Compound Name: | 3-(2-phenoxyethyl)-N-[(pyridin-2-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 510.56 |
| Molecular Formula: | C28 H29 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)C(F)(F)F)CCOc1ccccc1)C(NCc1ccccn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1863 |
| logD: | 3.5453 |
| logSw: | -4.1693 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.436 |
| InChI Key: | GMQYUOSCHCNZFI-UHFFFAOYSA-N |