Formula |
C27H28FN3O5 |
IUPAC Name |
n-[(3r,4r)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)phenyl]methoxy]azepan-3-yl]pyridine-4-carboxamide |
Molecular Mass |
493.527 g·mol−1 |
Heat of Formation |
-700.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.45 ± 1.08 D |
Volume |
575.57 Å 3 |
Surface Area |
435.64 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
-0.88 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (3r,4r)-n-{4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzyloxy]-azepan-3-yl}-isonicotinamide
- i05
- n-[(3r,4r)-4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)benzyl]oxyazepan-3-yl]isonicotinamide
- n-[(3r,4r)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)phenyl]methoxy]azepan-3-yl]pyridine-4-carboxamide
- n-[(3r,4r)-4-[[4-(2-fluoro-6-hydroxy-3-methoxy-phenyl)carbonylphenyl]methoxy]azepan-3-yl]pyridine-4-carboxamide
- n-[(3r,4r)-4-[[4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-oxomethyl]phenyl]methoxy]-3-azepanyl]-4-pyridinecarboxamide
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InChIKey |
PDMPNESLWSOZQA-IFMALSPDSA-N |
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Links |
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Elements |
H
C
N
O
F
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