3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V001-9991 |
| Compound Name: | 3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 457.96 |
| Molecular Formula: | C23 H28 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | CN(C)CCNC(C1Cc2cc(ccc2N2CCN(CC12)c1cccc(c1)[Cl])[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2715 |
| logD: | 1.6428 |
| logSw: | -3.5817 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.577 |
| InChI Key: | JALSMNUWMPCECJ-UHFFFAOYSA-N |