4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid
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![4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ff735984a9ef4ad28a3206ff861a870e.png "4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid")
4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid
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CAS No:
325472-40-0
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Formula:
C18H14N2O5S
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Chemical Name:
4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid
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Synonyms:
4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonyl}benzene-1,3-dicarboxylic acid;CBMicro_029759;Oprea1_030091;Oprea1_432772;ZINC2317340;STK997407;AKOS000599235;CCG-111786;MCULE-6369326535;4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid;BIM-0029672.P001;ST50102350;AB00095187-01;AG-690/12242412;4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonyl}isophthalic acid;325472-40-0;4-[N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl]benzene-1,3-di carboxylic acid
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CAS No:
4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid Basic Attributes
370.4 g/mol
370.06234272 g/mol
Computed Properties
Molecular Weight:370.4
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:370.06234272
Monoisotopic Mass:370.06234272
Topological Polar Surface Area:156
Heavy Atom Count:26
Complexity:645
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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