Formula |
C18H17BrFN3O3 |
IUPAC Name |
1-(5-bromo-2-pyridyl)-3-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea |
Molecular Mass |
422.248 g·mol−1 |
Heat of Formation |
-434.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.05 ± 1.08 D |
Volume |
429.61 Å 3 |
Surface Area |
331.54 Å 2 |
HOMO Energy |
-9.09 ± 0.55 eV |
LUMO Energy |
-1.01 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-(5-bromo-pyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)-cyclopropyl]-urea
- 3-(5-bromo-2-pyridyl)-1-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea
- 3-(5-bromo-2-pyridyl)-1-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)cyclopropyl]urea
- 3-(5-bromo-2-pyridyl)-1-[(1s,2s)-2-[6-fluoro-2-hydroxy-3-(1-oxopropyl)phenyl]cyclopropyl]urea
- 3-(5-bromopyridin-2-yl)-1-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea
- 3-(5-bromopyridin-2-yl)-1-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea
- bfu
- msc204
- urea-pett deriv. 18
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InChIKey |
VRAJWAGCJIXJHQ-YPMHNXCESA-N |
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Links |
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Elements |
C
F
H
O
N
Br
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