(2S)-2-[4-(2-{[(2,4-Difluorophenyl)Carbamoyl](Heptyl)Amino}Ethyl)Phenoxy]-2-Methylbutanoic Acid

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Formula C27H36F2N2O4
IUPAC Name (2s)-2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptyl-amino]ethyl]phenoxy]-2-methyl-butanoic acid
Molecular Mass 490.583 g·mol−1
Heat of Formation -1133.5 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 607.59 Å 3
Surface Area 528.86 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(4-[2-(3-[2,4-difluorophenyl]-1-heptylureido)ethyl]phenoxy)-2-methylbutyric acid
  • (2s)-2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptyl-amino]ethyl]phenoxy]-2-methyl-butanoic acid
  • (2s)-2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptyl-amino]ethyl]phenoxy]-2-methyl-butyric acid
  • (2s)-2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptylamino]ethyl]phenoxy]-2-methylbutanoic acid
  • (2s)-2-[4-[2-[[[(2,4-difluorophenyl)amino]-oxomethyl]-heptylamino]ethyl]phenoxy]-2-methylbutanoic acid
  • gw2331
InChIKey VGSJXSLGVQINOL-MHZLTWQESA-N
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