3-(2-cyanophenyl)-8-nitro-N-(propan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(2-cyanophenyl)-8-nitro-N-(propan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-cyanophenyl)-8-nitro-N-(propan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-7780 |
| Compound Name: | 3-(2-cyanophenyl)-8-nitro-N-(propan-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H25 N5 O3 |
| Smiles: | CC(C)NC(C1Cc2cc(ccc2N2CCN(CC12)c1ccccc1C#N)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1869 |
| logD: | 3.1869 |
| logSw: | -3.6238 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.599 |
| InChI Key: | DZEDCDZEQZUNBV-UHFFFAOYSA-N |