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Ethyl (8Z)-8-[(4-hydroxy-3-methoxy-phenyl)methylidene]-4-methyl-2-(4-methylphenyl)-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate

Base Information
  • Chemical Name:Ethyl (8Z)-8-[(4-hydroxy-3-methoxy-phenyl)methylidene]-4-methyl-2-(4-methylphenyl)-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
  • CAS No.:5667-90-3
  • Molecular Formula:C25H24N2O5S
  • Molecular Weight:464.5335
  • Hs Code.:
  • DSSTox Substance ID:DTXSID10386342
Ethyl (8Z)-8-[(4-hydroxy-3-methoxy-phenyl)methylidene]-4-methyl-2-(4-methylphenyl)-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate

Synonyms:5667-90-3;CBMicro_008734;Oprea1_145357;ETHYL (8Z)-8-[(4-HYDROXY-3-METHOXY-PHENYL)METHYLIDENE]-4-METHYL-2-(4-METHYLPHENYL)-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE;DTXSID10386342

Suppliers and Price of Ethyl (8Z)-8-[(4-hydroxy-3-methoxy-phenyl)methylidene]-4-methyl-2-(4-methylphenyl)-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
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Chemical Property of Ethyl (8Z)-8-[(4-hydroxy-3-methoxy-phenyl)methylidene]-4-methyl-2-(4-methylphenyl)-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
Chemical Property:
  • Vapor Pressure:5.79E-16mmHg at 25°C 
  • Boiling Point:620°C at 760 mmHg 
  • PKA:2.78±0.70(Predicted) 
  • Flash Point:328.7°C 
  • PSA:118.36000 
  • Density:1.31g/cm3 
  • LogP:2.25650 
  • XLogP3:4.4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Rotatable Bond Count:6
  • Exact Mass:464.14059304
  • Heavy Atom Count:33
  • Complexity:874
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)C(=CC4=CC(=C(C=C4)O)OC)S2)C
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