3-(2-cyanophenyl)-N-ethyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(2-cyanophenyl)-N-ethyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-cyanophenyl)-N-ethyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-7812 |
| Compound Name: | 3-(2-cyanophenyl)-N-ethyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | CCNC(C1Cc2cc(ccc2N2CCN(CC12)c1ccccc1C#N)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6766 |
| logD: | 2.6766 |
| logSw: | -3.3536 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.251 |
| InChI Key: | ZJJNBLXYUMIRET-UHFFFAOYSA-N |