N-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V013-8009 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 551.64 |
| Molecular Formula: | C29 H37 N5 O6 |
| Salt: | not_available |
| Smiles: | COc1ccc(CCNC(C2Cc3cc(ccc3N3CCN(CC23)CC(N2CCCC2)=O)[N+]([O-])=O)=O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7888 |
| logD: | 1.2297 |
| logSw: | -2.6965 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.739 |
| InChI Key: | BFOYSEYAXMVHTI-UHFFFAOYSA-N |