2-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid
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![2-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/540c07b7865c4d26abb88690fcfb42c0.png "2-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid")
2-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid
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CAS No:
438472-78-7
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Formula:
C19H25NO5S
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Chemical Name:
2-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid
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Synonyms:
Oprea1_290023;AK-968/15252703;STK400505;AKOS001268819;AKOS016309531;MCULE-6859471724;NCGC00174140-01;SR-01000014645;SR-01000014645-1;Z169897976
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CAS No:
2-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid Basic Attributes
379.4705
379.145
Computed Properties
Molecular Weight:379.5
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:379.14534407
Monoisotopic Mass:379.14534407
Topological Polar Surface Area:121
Heavy Atom Count:26
Complexity:554
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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