3-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-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)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V006-3522 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 443.56 |
| Molecular Formula: | C28 H30 F N3 O |
| Salt: | not_available |
| Smiles: | C(CNC(C1Cc2ccccc2N2CCN(CC12)Cc1ccc(cc1)F)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1216 |
| logD: | 3.5151 |
| logSw: | -4.1666 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.3384 |
| InChI Key: | SMPKGLFKYJDAAJ-UHFFFAOYSA-N |