Butyl ({4'-[(2-Ethyl-5,7-Dimethyl-3H-Imidazo[4,5-B]Pyridin-3-Yl)Methyl]-5-(3-Methoxybenzyl)-2-Biphenylyl}Sulfonyl)Carbamate

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Properties Simple | Detailed

Formula C36H40N4O5S
IUPAC Name butyl n-[2-[4-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ium-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylcarbamate
Molecular Mass 640.792 g·mol−1
Heat of Formation -623.6 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 777.79 Å 3
Surface Area 516.87 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • butyl n-[2-[4-[(2-ethyl-5,7-dimethyl-imidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylcarbamate
  • butyl n-[2-[4-[(2-ethyl-5,7-dimethylimidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylcarbamate
  • n-[2-[4-[(2-ethyl-5,7-dimethyl-3-imidazo[5,4-b]pyridinyl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylcarbamic acid butyl ester
  • n-[2-[4-[(2-ethyl-5,7-dimethyl-imidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxybenzyl)phenyl]sulfonylcarbamic acid butyl ester
InChIKey SRCIRAKBWHTYIX-UHFFFAOYSA-N
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