3-benzyl-N-[2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V002-4693 |
| Compound Name: | 3-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 530.62 |
| Molecular Formula: | C30 H34 N4 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(CCNC(C2Cc3cc(ccc3N3CCN(CC23)Cc2ccccc2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4545 |
| logD: | 2.5205 |
| logSw: | -3.6995 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.981 |
| InChI Key: | ZVXGRGOLHUBLSY-UHFFFAOYSA-N |