4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
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![4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7a3823e43068402eb671ea4cc61ad0fa.png "4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one")
4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
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CAS No:
354997-84-5
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Formula:
C24H25F3N4OS
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Chemical Name:
4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
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Synonyms:
4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one;AK-968/12101097;CHEMBL1897044;STK868269;AKOS005608866;MCULE-7451788376;MLS-0454350.0001;MLS-0454350.0002;(4E)-2-(1,3-benzothiazol-2-yl)-4-({[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one;354997-84-5
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CAS No:
4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one Basic Attributes
474.5417096
474.17
Computed Properties
Molecular Weight:474.5
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:474.17011709
Monoisotopic Mass:474.17011709
Topological Polar Surface Area:85.8
Heavy Atom Count:33
Complexity:846
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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