N-(2-methoxyethyl)-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-methoxyethyl)-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-methoxyethyl)-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: | V002-0281 |
| Compound Name: | N-(2-methoxyethyl)-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: | 445.52 |
| Molecular Formula: | C22 H31 N5 O5 |
| Salt: | not_available |
| Smiles: | COCCNC(C1Cc2cc(ccc2N2CCN(CC12)CC(N1CCCC1)=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.831 |
| logD: | 0.2719 |
| logSw: | -2.4137 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.092 |
| InChI Key: | ZVSGBDZUPHKNKP-UHFFFAOYSA-N |