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Home > Encyclopedia > 4-[(4-bromo-2,5-dimethylphenyl)sulfanylmethyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

4-[(4-bromo-2,5-dimethylphenyl)sulfanylmethyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

4-[(4-bromo-2,5-dimethylphenyl)sulfanylmethyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene structure

4-[(4-bromo-2,5-dimethylphenyl)sulfanylmethyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene 

structure
  • CAS No:

    726146-90-3

  • Formula:

    C20H19BrN4S2

  • Chemical Name:

    4-[(4-bromo-2,5-dimethylphenyl)sulfanylmethyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

  • Synonyms:

    ZINC3265914;AKOS001050728;MCULE-6398781662;Z56880565;4-{[(4-bromo-2,5-dimethylphenyl)sulfanyl]methyl}-10-thia-3,5,6,8-tetraazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,7,11(16)-pentaene;726146-90-3

4-[(4-bromo-2,5-dimethylphenyl)sulfanylmethyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene Basic Attributes

459.4 g/mol

458.02345 g/mol

Characteristics

96.6 Ų

Computed Properties

Molecular Weight:459.4
XLogP3:6.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:458.02345
Monoisotopic Mass:458.02345
Topological Polar Surface Area:96.6
Heavy Atom Count:27
Complexity:540
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 4-[(4-bromo-2,5-dimethylphenyl)sulfanylmethyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

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