4-[4-({(3S)-1-Butyl-3-[(R)-Cyclohexyl(Hydroxy)Methyl]-2,5-Dioxo-1,4,9-Triazaspiro[5.5]Undec-9-Yl}Methyl)Phenoxy]Benzoic Acid

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Properties Simple | Detailed

Formula C33H43N3O6
IUPAC Name 4-[4-[[(3s)-1-butyl-3-[(r)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
Molecular Mass 577.711 g·mol−1
Heat of Formation -1013.4 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 705.21 Å 3
Surface Area 575.28 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-[[(3s)-1-butyl-3-[(r)-cyclohexyl-hydroxy-methyl]-2,5-diketo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
  • 4-[4-[[(3s)-1-butyl-3-[(r)-cyclohexyl-hydroxy-methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
  • 4-[4-[[(3s)-1-butyl-3-[(r)-cyclohexyl-hydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
InChIKey GWNOTCOIYUNTQP-URLMMPGGSA-N
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