2-Bromo-N-[(2S,3S)-4-{[2-(2,4-Dichlorophenyl)Ethyl][3-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)Propanoyl]Amino}-3-Hydroxy-1-(3-Phenoxyphenyl)-2-Butanyl]-4,5-Dimethoxybenzamide

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Properties Simple | Detailed

Formula C44H40BrCl2N3O8
IUPAC Name 2-bromo-n-[(1s,2s)-3-[2-(2,4-dichlorophenyl)ethyl-[3-(1,3-dioxoisoindolin-2-yl)propanoyl]amino]-2-hydroxy-1-[(3-phenoxyphenyl)methyl]propyl]-4,5-dimethoxy-benzamide
Molecular Mass 889.614 g·mol−1
Heat of Formation -956.3 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 956.26 Å 3
Surface Area 764.89 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromo-n-[(1s,2s)-3-[2-(2,4-dichlorophenyl)ethyl-[3-(1,3-diketoisoindolin-2-yl)propanoyl]amino]-2-hydroxy-1-[3-(phenoxy)benzyl]propyl]-4,5-dimethoxy-benzamide
  • 2-bromo-n-[(1s,2s)-3-[2-(2,4-dichlorophenyl)ethyl-[3-(1,3-dioxo-2-isoindolinyl)-1-oxopropyl]amino]-2-hydroxy-1-[[3-(phenoxy)phenyl]methyl]propyl]-4,5-dimethoxybenzamide
  • 2-bromo-n-[(1s,2s)-3-[2-(2,4-dichlorophenyl)ethyl-[3-(1,3-dioxoisoindolin-2-yl)propanoyl]amino]-2-hydroxy-1-[[3-(phenoxy)phenyl]methyl]propyl]-4,5-dimethoxy-benzamide
  • 2-bromo-n-[(2s,3s)-4-[2-(2,4-dichlorophenyl)ethyl-[3-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-3-hydroxy-1-[3-(phenoxy)phenyl]butan-2-yl]-4,5-dimethoxy-benzamide
  • 2-bromo-n-[(2s,3s)-4-[2-(2,4-dichlorophenyl)ethyl-[3-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-3-hydroxy-1-[3-(phenoxy)phenyl]butan-2-yl]-4,5-dimethoxybenzamide
  • 2h-isoindole-2-propanamide, n-[(2s,3s)-3-[(2-bromo-4,5-dimethoxybenzoyl)amino]-2-hydroxy-4-(3-phenoxyphenyl)butyl]-n-[2-(2,4-dichlorophenyl)ethyl]-1,3-dihydro-1,3-dioxo-
InChIKey DQHKQRXAVNDAFY-UWXQCODUSA-N
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Elements C Cl H O N Br