N-{5-[5-(2,4-Dioxo-1,3,8-Triazaspiro[4.5]Dec-8-Yl)Pentanoyl]-2,4-Dimethoxyphenyl}-4-(Trifluoromethyl)Benzenesulfonamide

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Properties Simple | Detailed

Formula C27H31F3N4O7S
IUPAC Name n-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxy-phenyl]-4-(trifluoromethyl)benzenesulfonamide
Molecular Mass 612.618 g·mol−1
Heat of Formation -1659.7 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 689.15 Å 3
Surface Area 484.54 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • n-[5-[5-(2,4-diketo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxy-phenyl]-4-(trifluoromethyl)benzenesulfonamide
  • n-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxopentyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide
  • n-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxy-phenyl]-4-(trifluoromethyl)benzenesulfonamide
  • rs102221
  • tocris-1050
InChIKey HZZZZODVDSHQRG-UHFFFAOYSA-N
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