Ethyl 2-[(pyridin-3-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-[(pyridin-3-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• CAS No.: 62349-06-8
• Molecular Formula: C17H18N2O3S
• DSSTox Substance ID: DTXSID301126886

Synonyms:62349-06-8;Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[(3-pyridinylcarbonyl)amino]-, ethyl ester;CBMicro_006507;ethyl 2-[(pyridin-3-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;Oprea1_047242;Oprea1_063495;SCHEMBL3913279;DTXSID301126886;SMSF0005150;STK248071;AKOS000469496;CB08775;BIM-0006591.P001;EU-0004917;SR-01000432746;SR-01000432746-1;Z27680635;ethyl 2-[(3-pyridylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;Ethyl 4,5,6,7-tetrahydro-2-[(3-pyridinylcarbonyl)amino]benzo[b]thiophene-3-carboxylate

Chemical Property of Ethyl 2-[(pyridin-3-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 330.10381361
• Heavy Atom Count: 23
• Complexity: 446

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CN=CC=C3

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