N-ethyl-3-[(4-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-ethyl-3-[(4-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-ethyl-3-[(4-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-8708 |
| Compound Name: | N-ethyl-3-[(4-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C22 H25 F N4 O3 |
| Salt: | not_available |
| Smiles: | CCNC(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccc(cc1)F)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7926 |
| logD: | 2.1861 |
| logSw: | -3.0841 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.776 |
| InChI Key: | YNIOLZUUIMRWHV-UHFFFAOYSA-N |