3-[(4-chlorophenyl)methyl]-8-nitro-N-[2-(pyridin-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-8-nitro-N-[2-(pyridin-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-chlorophenyl)methyl]-8-nitro-N-[2-(pyridin-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V016-6648 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-8-nitro-N-[2-(pyridin-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 506 |
| Molecular Formula: | C27 H28 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | C(CNC(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccc(cc1)[Cl])[N+]([O-])=O)=O)c1ccccn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6242 |
| logD: | 3.1297 |
| logSw: | -3.9152 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.263 |
| InChI Key: | LPVKYMPPKQOGQX-UHFFFAOYSA-N |