3-[(4-fluorophenyl)methyl]-8-nitro-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]-8-nitro-N-(2-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-fluorophenyl)methyl]-8-nitro-N-(2-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V006-3006 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-8-nitro-N-(2-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C28 H29 F N4 O3 |
| Salt: | not_available |
| Smiles: | C(CNC(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccc(cc1)F)[N+]([O-])=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9665 |
| logD: | 3.3601 |
| logSw: | -4.0995 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.72 |
| InChI Key: | QHKGQXMNXMHBNF-UHFFFAOYSA-N |