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Home > Encyclopedia > ethyl 3-(benzoylcarbamothioylamino)-8-phenyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate

ethyl 3-(benzoylcarbamothioylamino)-8-phenyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate

ethyl 3-(benzoylcarbamothioylamino)-8-phenyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate structure

ethyl 3-(benzoylcarbamothioylamino)-8-phenyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate 

structure
  • CAS No:

    840457-84-3

  • Formula:

    C27H23N3O3S2

  • Chemical Name:

    ethyl 3-(benzoylcarbamothioylamino)-8-phenyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate

  • Synonyms:

    ZINC9543296;STK551405;AKOS005478951;MCULE-8152922261;840457-84-3;ethyl 5-phenyl-1-{[(phenylcarbonyl)carbamothioyl]amino}-7,8-dihydro-6H-cyclopenta[d]thieno[2,3-b]pyridine-2-carboxylate

ethyl 3-(benzoylcarbamothioylamino)-8-phenyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate Basic Attributes

501.6 g/mol

501.11808395 g/mol

Characteristics

141 Ų

Computed Properties

Molecular Weight:501.6
XLogP3:6.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:501.11808395
Monoisotopic Mass:501.11808395
Topological Polar Surface Area:141
Heavy Atom Count:35
Complexity:784
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of ethyl 3-(benzoylcarbamothioylamino)-8-phenyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate

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