2-(3-thiophen-2-ylprop-2-enoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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2-(3-thiophen-2-ylprop-2-enoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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CAS No:
314245-00-6
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Formula:
C16H15NO3S2
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Chemical Name:
2-(3-thiophen-2-ylprop-2-enoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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Synonyms:
AKOS030661361;MCULE-8040694903;Z56877072;2-[3-(thiophen-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid;314245-00-6
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CAS No:
2-(3-thiophen-2-ylprop-2-enoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Basic Attributes
333.4 g/mol
333.04933569 g/mol
Computed Properties
Molecular Weight:333.4
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:333.04933569
Monoisotopic Mass:333.04933569
Topological Polar Surface Area:123
Heavy Atom Count:22
Complexity:468
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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