Formula |
C25H36N4O5S |
IUPAC Name |
n-[(1r,5s)-8-[(2r)-2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-isopropyl-2-oxo-quinoline-3-carboxamide |
Molecular Mass |
504.642 g·mol−1 |
Heat of Formation |
-852.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.51 ± 1.08 D |
Volume |
598.21 Å 3 |
Surface Area |
495.89 Å 2 |
HOMO Energy |
-8.96 ± 0.55 eV |
LUMO Energy |
-1.22 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-[(1r,5s)-8-[(2r)-2-hydroxy-3-(mesyl-methyl-amino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-isopropyl-2-keto-quinoline-3-carboxamide
- n-[(1r,5s)-8-[(2r)-2-hydroxy-3-(methyl-methylsulfonyl-amino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-isopropyl-2-oxo-quinoline-3-carboxamide
- n-[(1r,5s)-8-[(2r)-2-hydroxy-3-(methyl-methylsulfonyl-amino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-yl-quinoline-3-carboxamide
- n-[(1r,5s)-8-[(2r)-2-hydroxy-3-(methyl-methylsulfonylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-isopropyl-2-oxo-3-quinolinecarboxamide
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InChIKey |
HXLOHDZQBKCUCR-BURNTYAHSA-N |
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Links |
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Elements |
H
C
S
O
N
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