3-(5-chloro-2-methoxyphenyl)-8-nitro-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
3-(5-chloro-2-methoxyphenyl)-8-nitro-N-[2-(thiophen-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(5-chloro-2-methoxyphenyl)-8-nitro-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: | V003-1395 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-8-nitro-N-[2-(thiophen-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 527.04 |
| Molecular Formula: | C26 H27 Cl N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCCc1cccs1)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7398 |
| logD: | 4.7397 |
| logSw: | -4.9194 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.788 |
| InChI Key: | URCYHQZJHWYRHY-UHFFFAOYSA-N |