3-benzyl-N-(2-methoxyethyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-benzyl-N-(2-methoxyethyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-benzyl-N-(2-methoxyethyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V002-4717 |
| Compound Name: | 3-benzyl-N-(2-methoxyethyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C23 H28 N4 O4 |
| Salt: | not_available |
| Smiles: | COCCNC(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccccc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4968 |
| logD: | 1.5627 |
| logSw: | -2.8962 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.334 |
| InChI Key: | DFXAODFNBUSILX-UHFFFAOYSA-N |