N-(2-{[(1S)-1-(Chloromethyl)-5-Hydroxy-8-Methyl-1,6-Dihydropyrrolo[3,2-E]Indol-3(2H)-Yl]Carbonyl}-1H-Indol-5-Yl)-6-(Diethylamino)-1-Benzofuran-2-Carboxamide

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Properties Simple | Detailed

Formula C34H32ClN5O4
IUPAC Name n-[2-[(1s)-1-(chloromethyl)-5-hydroxy-8-methyl-2,6-dihydro-1h-pyrrolo[3,2-e]indole-3-carbonyl]-1h-indol-5-yl]-6-(diethylamino)benzofuran-2-carboxamide
Molecular Mass 610.102 g·mol−1
Heat of Formation -199.0 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 692.66 Å 3
Surface Area 594.96 Å 2
HOMO Energy -7.97 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2-benzofurancarboxamide, n-(2-((1-(chloromethyl)-1,6-dihydro-5-hydroxy-8-methylbenzo(1,2-b:4,3-b')dipyrrol-3(2h)-yl)carbonyl)-1h-indol-5-yl)-6-(diethylamino)-, (s)-
  • n-[2-[[(8s)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3h-pyrrolo[3,2-e]indol-6-yl]carbonyl]-1h-indol-5-yl]-6-diethylamino-1-benzofuran-2-carboxamide
  • u 76073
  • u-76,073
  • u-76073
CAS Number(s)
  • 119813-16-0
InChIKey AFSIAWNYTUCVBD-OAQYLSRUSA-N
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