3-benzyl-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-benzyl-N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-benzyl-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: | V002-3905 |
| Compound Name: | 3-benzyl-N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 500.6 |
| Molecular Formula: | C29 H32 N4 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(CCNC(C2Cc3cc(ccc3N3CCN(CC23)Cc2ccccc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9198 |
| logD: | 2.9858 |
| logSw: | -4.0334 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.264 |
| InChI Key: | NWAOIYCJJGXPMP-UHFFFAOYSA-N |