2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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![2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f462dec22c5245b58fc2d68f4dc2527b.png "2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid")
2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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CAS No:
749219-12-3
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Formula:
C17H17NO4S
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Chemical Name:
2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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Synonyms:
2-(4-methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid;749219-12-3;CHEMBL1910549;2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid;CBDivE_002824;SCHEMBL23413350;ZINC3148790;BDBM50355548;STL307203;AKOS002217866;CCG-298210;MCULE-8579360696;NE58808;ST50134026;EN300-04055;Z56858209;2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid;2-[(4-methoxyphenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbo xylic acid;2-{[(4-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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CAS No:
2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Basic Attributes
331.4 g/mol
331.08782920 g/mol
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:331.4
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:331.08782920
Monoisotopic Mass:331.08782920
Topological Polar Surface Area:104
Heavy Atom Count:23
Complexity:450
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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