Formula |
C36H39N5O5S |
IUPAC Name |
isopentyl n-[2-[4-[(6-benzamido-7-methyl-2-propyl-imidazo[4,5-b]pyridin-3-ium-2-ylium-3-yl)methyl]phenyl]phenyl]sulfonylcarbamate |
Molecular Mass |
653.790 g·mol−1 |
Heat of Formation |
-572.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.56 ± 1.08 D |
Volume |
781.54 Å 3 |
Surface Area |
526.7 Å 2 |
HOMO Energy |
-8.70 ± 0.55 eV |
LUMO Energy |
-0.56 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-methylbutyl n-[2-[4-[[6-(benzoylamino)-7-methyl-2-propylimidazo[5,4-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonylcarbamate
- 3-methylbutyl n-[2-[4-[[7-methyl-6-(phenylcarbonylamino)-2-propyl-imidazo[5,4-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonylcarbamate
- isopentyl n-[2-[4-[[6-(benzoylamino)-7-methyl-2-propyl-imidazo[5,4-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonylcarbamate
- n-[2-[4-[[6-(benzoylamino)-7-methyl-2-propyl-imidazo[5,4-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonylcarbamic acid isoamyl ester
- n-[2-[4-[[7-methyl-6-[(oxo-phenylmethyl)amino]-2-propyl-3-imidazo[5,4-b]pyridinyl]methyl]phenyl]phenyl]sulfonylcarbamic acid isopentyl ester
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InChIKey |
WGFOETKPMPCUOG-UHFFFAOYSA-N |
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Elements |
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