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6-[(6-Tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Base Information
  • Chemical Name:6-[(6-Tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
  • CAS No.:6125-05-9
  • Molecular Formula:C22H29NO5S
  • Molecular Weight:419.5344
  • Hs Code.:
  • DSSTox Substance ID:DTXSID70387330
6-[(6-Tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Synonyms:6125-05-9;6-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid;AK-968/12117306;CBMicro_046314;DTXSID70387330;AFQXKQJEHYHJAO-UHFFFAOYSA-N;STK400396;AKOS003269849;BIM-0046343.P001;6-({[6-tert-butyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid;6-{[6-tert-butyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid

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Chemical Property of 6-[(6-Tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Chemical Property:
  • Vapor Pressure:9.21E-18mmHg at 25°C 
  • Boiling Point:649.6°Cat760mmHg 
  • Flash Point:346.7°C 
  • Density:1.267g/cm3 
  • XLogP3:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Rotatable Bond Count:6
  • Exact Mass:419.17664420
  • Heavy Atom Count:29
  • Complexity:685
Purity/Quality:
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)O
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