N-(3-methylbutyl)-8-nitro-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-8-nitro-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-(3-methylbutyl)-8-nitro-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
Compound ID: | V008-4606 |
Compound Name: | N-(3-methylbutyl)-8-nitro-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
Molecular Weight: | 422.53 |
Molecular Formula: | C24 H30 N4 O3 |
Salt: | not_available |
Smiles: | CC(C)CCNC(C1Cc2cc(ccc2N2CCN(CC12)c1ccccc1)[N+]([O-])=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.3786 |
logD: | 4.3782 |
logSw: | -4.1743 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.711 |
InChI Key: | LUOXSGLTQMSGSD-UHFFFAOYSA-N |