4'-[(2-Butyl-4-Oxo-1,3-Diazaspiro[4.4]Non-1-En-3-Yl)Methyl]-N-(3,4-Dimethyl-1,2-Oxazol-5-Yl)-2'-[(3,3-Dimethyl-2-Oxo-1-Pyrrolidinyl)Methyl]-2-Biphenylsulfonamide

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Properties Simple | Detailed

Formula C36H45N5O5S
IUPAC Name 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[(3,3-dimethyl-2-oxo-pyrrolidin-1-yl)methyl]phenyl]-n-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
Molecular Mass 659.838 g·mol−1
Heat of Formation -622.5 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 796.52 Å 3
Surface Area 539.96 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(2-butyl-4-keto-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[(2-keto-3,3-dimethyl-pyrrolidin-1-yl)methyl]phenyl]-n-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
  • 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[(3,3-dimethyl-2-oxo-1-pyrrolidinyl)methyl]phenyl]-n-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide
  • 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[(3,3-dimethyl-2-oxo-pyrrolidin-1-yl)methyl]phenyl]-n-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
  • 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[(3,3-dimethyl-2-oxo-pyrrolidin-1-yl)methyl]phenyl]-n-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
InChIKey NBDFXMDYBLSGLX-UHFFFAOYSA-N
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