Formula |
C19H21ClFN3O4S |
IUPAC Name |
1-[4-chloro-2-hydroxy-3-[[(3s)-3-piperidyl]sulfonyl]phenyl]-3-(3-fluoro-2-methyl-phenyl)urea |
Molecular Mass |
441.904 g·mol−1 |
Heat of Formation |
-793.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.48 ± 1.08 D |
Volume |
467.54 Å 3 |
Surface Area |
402.63 Å 2 |
HOMO Energy |
-8.96 ± 0.55 eV |
LUMO Energy |
2.00 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-[4-chloro-2-hydroxy-3-[(3s)-piperidin-3-yl]sulfonyl-phenyl]-3-(3-fluoro-2-methyl-phenyl)urea
- 1-[4-chloro-2-hydroxy-3-[(3s)-piperidin-3-yl]sulfonylphenyl]-3-(3-fluoro-2-methylphenyl)urea
- 1-[4-chloro-2-hydroxy-3-[[(3s)-3-piperidinyl]sulfonyl]phenyl]-3-(3-fluoro-2-methylphenyl)urea
- 1-[4-chloro-2-hydroxy-3-[[(3s)-3-piperidyl]sulfonyl]phenyl]-3-(3-fluoro-2-methyl-phenyl)urea
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InChIKey |
NGYNBSHYFOFVLS-LBPRGKRZSA-N |
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Links |
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Downloads |
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Elements |
C
F
H
Cl
O
N
S
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