ethyl 1-[3-(2-cyanophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(2-cyanophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperidine-3-carboxylate
ethyl 1-[3-(2-cyanophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V016-8217 |
| Compound Name: | ethyl 1-[3-(2-cyanophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperidine-3-carboxylate |
| Molecular Weight: | 517.58 |
| Molecular Formula: | C28 H31 N5 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(C1Cc2cc(ccc2N2CCN(CC12)c1ccccc1C#N)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.463 |
| logD: | 3.463 |
| logSw: | -3.8484 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 93.276 |
| InChI Key: | CQAYTTQGQJSGDT-UHFFFAOYSA-N |