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

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Properties Simple | Detailed

Formula C30H29N4O4S2
IUPAC Name buta-1,3-diyn-1-olate; 5-isobutyl-3-[4-[[(1s)-5'-methyl-7'-methylene-spiro[cyclopropane-1,2'-imidazo[4,5-b]pyridin-4-ium]-3'-yl]methyl]phenyl]-n-(oxomethylene)thiophene-2-sulfonamide
Molecular Mass 573.706 g·mol−1
Heat of Formation 2030.3 ± 16.7 kJ·mol−1
Dipole Moment 8.52 ± 1.08 D
Volume 639.56 Å 3
Surface Area 425.89 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -1.90 ± eV
Point Group Symmetry C1
Synonyms
  • 5,7-dimethyl-2-ethyl-3-[[4-[2- (n-butyloxycarbonylsulfonamido)-5-isobutyl-3-thienyl]phenyl]methyl]imidazo- [4,5-b]- pyridine
  • butyl n-[3-[4-[(2-ethyl-5,7-dimethyl-imidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
  • butyl n-[3-[4-[(2-ethyl-5,7-dimethylimidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
  • butyl n-[[3-[4-[(2-ethyl-5,7-dimethyl-imidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-5-isobutyl-2-thienyl]sulfonyl]carbamate
  • l-162,313
  • n-[[3-[4-[(2-ethyl-5,7-dimethyl-3-imidazo[5,4-b]pyridinyl)methyl]phenyl]-5-isobutyl-2-thienyl]sulfonyl]carbamic acid butyl ester
  • n-[[3-[4-[(2-ethyl-5,7-dimethyl-imidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-5-isobutyl-2-thienyl]sulfonyl]carbamic acid butyl ester
InChIKey RINPELQWLUGERM-UHFFFAOYSA-N
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