4-[(E)-(4-imino-7,8-dimethyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid
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![4-[(E)-(4-imino-7,8-dimethyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e3da3fb4e2424281bfa64cd4b16a27a4.png "4-[(E)-(4-imino-7,8-dimethyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid")
4-[(E)-(4-imino-7,8-dimethyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid
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CAS No:
900294-85-1
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Formula:
C20H15N3O3S
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Chemical Name:
4-[(E)-(4-imino-7,8-dimethyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid
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Synonyms:
STK593911;ZINC13541644;AKOS005515779;AKOS032395745;(E)-4-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid;4-[(E)-(4-iminio-7,8-dimethyl-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene)methyl]benzoate;900294-85-1
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CAS No:
4-[(E)-(4-imino-7,8-dimethyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid Basic Attributes
377.4 g/mol
377.08341252 g/mol
Computed Properties
Molecular Weight:377.4
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:377.08341252
Monoisotopic Mass:377.08341252
Topological Polar Surface Area:119
Heavy Atom Count:27
Complexity:739
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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