3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid
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![3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/730690ad920f4a77a5153194b4b204dc.png "3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid")
3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid
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CAS No:
94944-74-8
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Formula:
C34H46N4O5S
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Chemical Name:
3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid
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Synonyms:
Benzenesulfonic acid,3-[4-(2-cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]-;3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid
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CAS No:
3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid Basic Attributes
622.81800
622.82
305-652-2
Computed Properties
Molecular Weight:622.8
XLogP3:8.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:20
Exact Mass:622.31889175
Monoisotopic Mass:622.31889175
Topological Polar Surface Area:148
Heavy Atom Count:44
Complexity:1070
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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