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Home > Encyclopedia > ethyl 4-cyano-5-({[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-3-methyl-2-thiophenecarboxylate

ethyl 4-cyano-5-({[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-3-methyl-2-thiophenecarboxylate

ethyl 4-cyano-5-({[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-3-methyl-2-thiophenecarboxylate structure

ethyl 4-cyano-5-({[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-3-methyl-2-thiophenecarboxylate 

structure
  • CAS No:

    445383-13-1

  • Formula:

    C22H22N4O3S2

  • Chemical Name:

    ethyl 4-cyano-5-({[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-3-methyl-2-thiophenecarboxylate

  • Synonyms:

    SMR000147504;MLS000555987;CHEMBL1440137;HMS2327G05;ZINC8451099;STK546590;AKOS003679598;MCULE-4762113579;AM-807/14147284;4-Cyano-5-[2-(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-ylsulfanyl)-acetylamino]-3-methyl-t hiophene-2-carboxylic acid ethyl ester

ethyl 4-cyano-5-({[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-3-methyl-2-thiophenecarboxylate Basic Attributes

454.56508

454.113

Characteristics

169

5.3

Computed Properties

Molecular Weight:454.6
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:454.11333292
Monoisotopic Mass:454.11333292
Topological Polar Surface Area:169
Heavy Atom Count:31
Complexity:760
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of ethyl 4-cyano-5-({[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-3-methyl-2-thiophenecarboxylate

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