3-(5-{[5-(Carbamoylamino)-2-Oxo-2H-Indol-3-Yl]Methyl}-1H-Pyrrol-3-Yl)-N-[2-(1-Piperidinyl)Ethyl]Benzamide

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Properties Simple | Detailed

Formula C28H30N6O3
IUPAC Name 3-[2-[(2-oxo-5-ureido-indol-3-yl)methyl]-3h-pyrrol-1-ium-3-id-4-yl]-n-[2-(1-piperidyl)ethyl]benzamide
Molecular Mass 498.576 g·mol−1
Heat of Formation -28.2 ± 16.7 kJ·mol−1
Dipole Moment 7.68 ± 1.08 D
Volume 600.77 Å 3
Surface Area 489.66 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -2.31 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[5-[(2-keto-5-ureido-indol-3-yl)methyl]-1h-pyrrol-3-yl]-n-(2-piperidinoethyl)benzamide
  • 3-[5-[(2-oxo-5-ureido-3-indolyl)methyl]-1h-pyrrol-3-yl]-n-[2-(1-piperidyl)ethyl]benzamide
  • 3-[5-[(2-oxo-5-ureido-indol-3-yl)methyl]-1h-pyrrol-3-yl]-n-[2-(1-piperidyl)ethyl]benzamide
  • 3-[5-[[5-(aminocarbonylamino)-2-oxo-indol-3-yl]methyl]-1h-pyrrol-3-yl]-n-(2-piperidin-1-ylethyl)benzamide
InChIKey PWZOBKJHPWISGC-UHFFFAOYSA-N
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