2-(1,3-benzothiazol-2-yl)-4-[(4-ethylanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
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![2-(1,3-benzothiazol-2-yl)-4-[(4-ethylanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a9151b23f5cc43b99174fa1ceaff5671.png "2-(1,3-benzothiazol-2-yl)-4-[(4-ethylanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one")
2-(1,3-benzothiazol-2-yl)-4-[(4-ethylanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
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CAS No:
354542-81-7
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Formula:
C20H15F3N4OS
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Chemical Name:
2-(1,3-benzothiazol-2-yl)-4-[(4-ethylanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
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Synonyms:
STK741690;AKOS005524235;ZINC100700717;ZINC102642277;MCULE-9090626665;ST004938;AK-968/37050004;(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(4-ethylphenyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one;1-benzothiazol-2-yl-4-{[(4-ethylphenyl)amino]methylene}-3-(trifluoromethyl)-1, 2-diazolin-5-one;2-(1,3-benzothiazol-2-yl)-4-[(4-ethylanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
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CAS No:
2-(1,3-benzothiazol-2-yl)-4-[(4-ethylanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one Basic Attributes
416.4195096
416.092
Computed Properties
Molecular Weight:416.4
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:416.09186677
Monoisotopic Mass:416.09186677
Topological Polar Surface Area:85.8
Heavy Atom Count:29
Complexity:688
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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