N-[(3R,4R)-4-({4-[5-(4,4-Dimethyl-1-Piperidinyl)-2-Hydroxybenzoyl]Benzoyl}Amino)-3-Azepanyl]Isonicotinamide

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Properties Simple | Detailed

Formula C33H39N5O4
IUPAC Name n-[(3r,4r)-4-[[4-[5-(4,4-dimethyl-1-piperidyl)-2-hydroxy-benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide
Molecular Mass 569.694 g·mol−1
Heat of Formation -414.4 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 695.17 Å 3
Surface Area 542.49 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(3r,4r)-4-[[4-[5-(4,4-dimethyl-1-piperidyl)-2-hydroxy-benzoyl]benzoyl]amino]azepan-3-yl]isonicotinamide
  • n-[(3r,4r)-4-[[4-[5-(4,4-dimethyl-1-piperidyl)-2-hydroxy-benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide
  • n-[(3r,4r)-4-[[4-[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxy-phenyl]carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide
  • n-[(3r,4r)-4-[[4-[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide
  • n-[(3r,4r)-4-[[[4-[[5-(4,4-dimethyl-1-piperidinyl)-2-hydroxyphenyl]-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide
  • n-[4-({4-[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide
  • r55
InChIKey YGHLZBJWLNYECG-VSGBNLITSA-N
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