N-[2-(4-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-(4-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-(4-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: | V015-9048 |
Compound Name: | N-[2-(4-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: | COc1ccc(CCNC(C2Cc3cc(ccc3N3CCN(CC23)CC(N2CCCC2)=O)[N+]([O-])=O)=O)cc1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.2541 |
logD: | 1.695 |
logSw: | -3.0082 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 88.022 |
InChI Key: | NLUYIDYUSFLUTI-UHFFFAOYSA-N |