4-(7-ethyl-1,3-benzodioxol-5-yl)-1,1-dioxo-2-[2-(trifluoromethyl)phenyl]-1λ6,2-benzothiazine-3-carboxylic acid
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![4-(7-ethyl-1,3-benzodioxol-5-yl)-1,1-dioxo-2-[2-(trifluoromethyl)phenyl]-1λ6,2-benzothiazine-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2e72d4c9575d44e78089d7a0cce6b935.png "4-(7-ethyl-1,3-benzodioxol-5-yl)-1,1-dioxo-2-[2-(trifluoromethyl)phenyl]-1λ6,2-benzothiazine-3-carboxylic acid")
4-(7-ethyl-1,3-benzodioxol-5-yl)-1,1-dioxo-2-[2-(trifluoromethyl)phenyl]-1λ6,2-benzothiazine-3-carboxylic acid
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CAS No:
221241-63-0
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Formula:
C25H18F3NO6S
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Chemical Name:
4-(7-ethyl-1,3-benzodioxol-5-yl)-1,1-dioxo-2-[2-(trifluoromethyl)phenyl]-1λ6,2-benzothiazine-3-carboxylic acid
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Synonyms:
FANDOSENTAN;UNII-771E5ELJ7N;221241-63-0;771E5ELJ7N;Fandosentan [INN];SCHEMBL795805;CHEMBL2110610;DTXSID4047250;ZINC1488367;BDBM50532592;L017815;Q27266536;4-(7-ethyl-1,3-benzodioxol-5-yl)-1,1-dioxo-2-[2-(trifluoromethyl)phenyl]-1$l^{6},2-benzothiazine-3-carboxylic acid
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CAS No:
4-(7-ethyl-1,3-benzodioxol-5-yl)-1,1-dioxo-2-[2-(trifluoromethyl)phenyl]-1λ6,2-benzothiazine-3-carboxylic acid Basic Attributes
517.5 g/mol
517.08069295 g/mol
771E5ELJ7N
DTXSID4047250
Computed Properties
Molecular Weight:517.5
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:517.08069295
Monoisotopic Mass:517.08069295
Topological Polar Surface Area:102
Heavy Atom Count:36
Complexity:993
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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