N-[(3S,5S)-1-(1,3-Benzodioxol-5-Ylmethyl)-5-(1-Piperazinylcarbonyl)-3-Pyrrolidinyl]-N-(3-Methoxybenzyl)-3,3-Dimethylbutanamide

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Properties Simple | Detailed

Formula C31H42N4O5
IUPAC Name 2-[(3r)-3-[[(1r)-4,5-dioxocyclohex-2-en-1-yl]methylamino]-2-oxo-3-[2-[[2-(oxomethylene)cyclopropyl]methylamino]cyclopropen-1-yl]azetidin-1-yl]ethynyl-methylidyne-ammonium; (2-methylenecyclobutylidene)methanone
Molecular Mass 550.689 g·mol−1
Heat of Formation -673.0 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 684.31 Å 3
Surface Area 526.87 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 3.11 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(3s,5s)-1-(1,3-benzodioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-n-(3-methoxybenzyl)-3,3-dimethyl-butyramide
  • n-[(3s,5s)-1-(1,3-benzodioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-n-[(3-methoxyphenyl)methyl]-3,3-dimethyl-butanamide
  • n-[(3s,5s)-1-(1,3-benzodioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-n-[(3-methoxyphenyl)methyl]-3,3-dimethylbutanamide
  • n-[(3s,5s)-1-(1,3-benzodioxol-5-ylmethyl)-5-[oxo-(1-piperazinyl)methyl]-3-pyrrolidinyl]-n-[(3-methoxyphenyl)methyl]-3,3-dimethylbutanamide
  • n-[(3s,5s)-1-(1,3-benzodioxol-5-ylmethyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]-n-[(3-methoxyphenyl)methyl]-3,3-dimethyl-butanamide
InChIKey WPHXYKUPFJRJDK-AHWVRZQESA-N
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