3-[(4-fluorophenyl)methyl]-N-[2-(thiophen-2-yl)ethyl]-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-(thiophen-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-fluorophenyl)methyl]-N-[2-(thiophen-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V006-3534 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-N-[2-(thiophen-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C26 H28 F N3 O S |
| Salt: | not_available |
| Smiles: | C(CNC(C1Cc2ccccc2N2CCN(CC12)Cc1ccc(cc1)F)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0806 |
| logD: | 3.4742 |
| logSw: | -4.1506 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.3567 |
| InChI Key: | UEDKFWSYNSLDHS-UHFFFAOYSA-N |