(3R,4R)-3-[(4-Hydroxybenzoyl)Amino]-4-Azepanyl 4-Hydroxybenzoate

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Properties Simple | Detailed

Formula C20H22N2O5
IUPAC Name [(3r,4r)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl] 4-hydroxybenzoate
Molecular Mass 370.399 g·mol−1
Heat of Formation -728.8 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 440.18 Å 3
Surface Area 343.89 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-hydroxybenzoate
  • 4-hydroxybenzoic acid [(3r,4r)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl] ester
  • 4-hydroxybenzoic acid [(3r,4r)-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-azepanyl] ester
  • [(3r,4r)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl] 4-hydroxybenzoate
  • [(3r,4r)-3-[(4-hydroxyphenyl)carbonylamino]azepan-4-yl] 4-hydroxybenzoate
  • b1l
  • balanol analog 1
InChIKey FZJQHARRQUNVGZ-QZTJIDSGSA-N
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