8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[2-(thiophen-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[2-(thiophen-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[2-(thiophen-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V014-8145 |
| Compound Name: | 8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-[2-(thiophen-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C25 H31 N5 O4 S |
| Salt: | not_available |
| Smiles: | C1CCN(C1)C(CN1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCCc1cccs1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2307 |
| logD: | 1.6716 |
| logSw: | -3.0204 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.497 |
| InChI Key: | JXQYAYUBGPSEIR-UHFFFAOYSA-N |