N-[(4-fluorophenyl)methyl]-3-(2-phenoxyethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-(2-phenoxyethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(4-fluorophenyl)methyl]-3-(2-phenoxyethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V002-0885 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-(2-phenoxyethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 527.56 |
| Molecular Formula: | C29 H29 F4 N3 O2 |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)C(F)(F)F)CCOc1ccccc1)C(NCc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1252 |
| logD: | 4.4842 |
| logSw: | -5.2695 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.893 |
| InChI Key: | FEQBREXZEAPRIC-UHFFFAOYSA-N |