3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-8676 |
| Compound Name: | 3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 516.6 |
| Molecular Formula: | C29 H32 N4 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(CCNC(C2Cc3cc(ccc3N3CCN(CC23)c2ccccc2OC)[N+]([O-])=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0676 |
| logD: | 4.066 |
| logSw: | -4.1466 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.313 |
| InChI Key: | BAYRIWSPPDLGBJ-UHFFFAOYSA-N |