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
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Synonyms
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- 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
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InChIKey |
VXVVBHZWCMDJPJ-KAYWLYCHSA-N |
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Links |
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Elements |
H
C
O
N
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