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

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Properties Simple | Detailed

Formula C31H35N5O4
IUPAC Name n-[(3r,4r)-4-[[4-[2-hydroxy-5-(1-piperidyl)benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide
Molecular Mass 541.641 g·mol−1
Heat of Formation -362.1 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 649.18 Å 3
Surface Area 514.83 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • n-(4-{[4-(2-hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino}azepan-3-yl)isonicotinamide
  • n-[(3r,4r)-4-[[4-(2-hydroxy-5-piperidin-1-yl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide
  • n-[(3r,4r)-4-[[4-(2-hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide
  • n-[(3r,4r)-4-[[4-(2-hydroxy-5-piperidino-benzoyl)benzoyl]amino]azepan-3-yl]isonicotinamide
  • n-[(3r,4r)-4-[[4-[2-hydroxy-5-(1-piperidyl)benzoyl]benzoyl]amino]azepan-3-yl]pyridine-4-carboxamide
  • n-[(3r,4r)-4-[[[4-[[2-hydroxy-5-(1-piperidyl)phenyl]-oxomethyl]phenyl]-oxomethyl]amino]-3-azepanyl]-4-pyridinecarboxamide
  • r94
InChIKey VXVVBHZWCMDJPJ-KAYWLYCHSA-N
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