N-(3-methoxyphenyl)-8-nitro-3-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-8-nitro-3-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-(3-methoxyphenyl)-8-nitro-3-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V001-9933 |
| Compound Name: | N-(3-methoxyphenyl)-8-nitro-3-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C25 H31 N5 O5 |
| Salt: | not_available |
| Smiles: | CC(C)NC(CN1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(Nc1cccc(c1)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0789 |
| logD: | 3.0218 |
| logSw: | -3.2745 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.817 |
| InChI Key: | LDIDJMDMRMGROP-UHFFFAOYSA-N |