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Home > Encyclopedia > 2-[(7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-1-(4-chlorophenyl)ethanone

2-[(7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-1-(4-chlorophenyl)ethanone

2-[(7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-1-(4-chlorophenyl)ethanone structure

2-[(7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-1-(4-chlorophenyl)ethanone 

structure
  • CAS No:

    842963-43-3

  • Formula:

    C26H21ClN4OS3

  • Chemical Name:

    2-[(7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-1-(4-chlorophenyl)ethanone

  • Synonyms:

    C26H21ClN4OS3;ZINC2403570;STK720388;AKOS005529350;MCULE-7851951350;2-{[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone;842963-43-3

2-[(7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-1-(4-chlorophenyl)ethanone Basic Attributes

537.1 g/mol

536.0566025 g/mol

Characteristics

139 Ų

Computed Properties

Molecular Weight:537.1
XLogP3:8.3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:536.0566025
Monoisotopic Mass:536.0566025
Topological Polar Surface Area:139
Heavy Atom Count:35
Complexity:735
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[(7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-1-(4-chlorophenyl)ethanone

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