3-[(4-chlorophenyl)methyl]-8-nitro-N-[(oxolan-2-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-8-nitro-N-[(oxolan-2-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-chlorophenyl)methyl]-8-nitro-N-[(oxolan-2-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V012-8254 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-8-nitro-N-[(oxolan-2-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 484.98 |
| Molecular Formula: | C25 H29 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | C1CC(CNC(C2Cc3cc(ccc3N3CCN(CC23)Cc2ccc(cc2)[Cl])[N+]([O-])=O)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2344 |
| logD: | 2.7399 |
| logSw: | -3.6294 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.533 |
| InChI Key: | MCLJBJWUAIGTRW-UHFFFAOYSA-N |