N-(3-methylbutyl)-8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-(3-methylbutyl)-8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V002-0330 |
| Compound Name: | N-(3-methylbutyl)-8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C24 H35 N5 O4 |
| Smiles: | CC(C)CCNC(C1Cc2cc(ccc2N2CCN(CC12)CC(N1CCCC1)=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3646 |
| logD: | 1.8055 |
| logSw: | -2.9681 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.75 |
| InChI Key: | QIPSZLNUNZUPKN-UHFFFAOYSA-N |