3-(2-methoxyphenyl)-8-nitro-N-(2-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(2-methoxyphenyl)-8-nitro-N-(2-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-methoxyphenyl)-8-nitro-N-(2-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V002-0310 |
| Compound Name: | 3-(2-methoxyphenyl)-8-nitro-N-(2-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C28 H30 N4 O4 |
| Smiles: | COc1ccccc1N1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0853 |
| logD: | 4.0836 |
| logSw: | -4.1959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.769 |
| InChI Key: | DPZFWDNWQVWHCG-UHFFFAOYSA-N |