3-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-7820 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 511.56 |
| Molecular Formula: | C29 H29 F4 N3 O |
| Salt: | not_available |
| Smiles: | C(CNC(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccc(cc1)F)C(F)(F)F)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0218 |
| logD: | 4.4153 |
| logSw: | -4.7625 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.3384 |
| InChI Key: | XGMJJTFICUCZKJ-UHFFFAOYSA-N |