3-(2-phenoxyethyl)-N-[(pyridin-3-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-3-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-phenoxyethyl)-N-[(pyridin-3-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V002-0814 |
| Compound Name: | 3-(2-phenoxyethyl)-N-[(pyridin-3-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(NCc1cccnc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8685 |
| logD: | 3.2275 |
| logSw: | -3.964 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.411 |
| InChI Key: | JZTBXLQQJINUHG-UHFFFAOYSA-N |