3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonic acid
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![3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/436f6bad6b4547de9b9353dccdcd7150.png "3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonic acid")
3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonic acid
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CAS No:
129648-97-1
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Formula:
C23H26ClNO5S2
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Chemical Name:
3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonic acid
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Synonyms:
KT2-962 free acid;KT-2962 free acid;UNII-JSE04M8GDG;JSE04M8GDG;SCHEMBL5673549;CHEMBL1206329;3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonic acid;L001400;Q27281673;1-Azulenesulfonic acid, 3-(4-(((4-chlorophenyl)sulfonyl)amino)butyl)-6-(1-methylethyl)-;6-Isopropyl-3-(4-(p- chlorobenzenesulfonylamino)-butyl)-azulene-1-sulfonic acid;129648-97-1
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CAS No:
3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonic acid Basic Attributes
496.0 g/mol
495.0940930 g/mol
Computed Properties
Molecular Weight:496.0
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:495.0940930
Monoisotopic Mass:495.0940930
Topological Polar Surface Area:117
Heavy Atom Count:32
Complexity:797
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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