N-[2-(2-methoxyphenyl)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-(2-methoxyphenyl)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-(2-methoxyphenyl)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: | V013-8045 |
| Compound Name: | N-[2-(2-methoxyphenyl)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: | 521.62 |
| Molecular Formula: | C28 H35 N5 O5 |
| Salt: | not_available |
| Smiles: | COc1ccccc1CCNC(C1Cc2cc(ccc2N2CCN(CC12)CC(N1CCCC1)=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5575 |
| logD: | 1.9984 |
| logSw: | -3.0746 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.109 |
| InChI Key: | SFWXEDNWSWBWRU-UHFFFAOYSA-N |