3-(furan-2-carbonyl)-N-(3-methylbutyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(furan-2-carbonyl)-N-(3-methylbutyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(furan-2-carbonyl)-N-(3-methylbutyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V011-1225 |
| Compound Name: | 3-(furan-2-carbonyl)-N-(3-methylbutyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C23 H28 N4 O5 |
| Smiles: | CC(C)CCNC(C1Cc2cc(ccc2N2CCN(CC12)C(c1ccco1)=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9663 |
| logD: | 2.9663 |
| logSw: | -3.3384 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.485 |
| InChI Key: | QRBWBIHLIXDOMJ-UHFFFAOYSA-N |