3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxooctadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid
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![3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxooctadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/204122c58dc047b5b2f4fa9a11fd21bb.png "3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxooctadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid")
3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxooctadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid
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CAS No:
94944-75-9
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Formula:
C36H50N4O5S
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Chemical Name:
3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxooctadecyl)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-oxooctadecyl)amino]phenyl]-1H-pyrazol-1-yl]-;3-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxooctadecyl)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-oxooctadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid Basic Attributes
650.87100
650.87
305-653-8
Computed Properties
Molecular Weight:650.9
XLogP3:9.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:22
Exact Mass:650.35019188
Monoisotopic Mass:650.35019188
Topological Polar Surface Area:148
Heavy Atom Count:46
Complexity:1100
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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