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Home > Encyclopedia > 2-(4-bromophenyl)-N-(3-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

2-(4-bromophenyl)-N-(3-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

2-(4-bromophenyl)-N-(3-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide structure

2-(4-bromophenyl)-N-(3-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide 

structure
  • CAS No:

    328020-98-0

  • Formula:

    C29H25BrN4S

  • Chemical Name:

    2-(4-bromophenyl)-N-(3-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

  • Synonyms:

    C29H25BrN4S;ZINC2258187;STL005428;AKOS001027978;MCULE-1103566573;ST50113137;1-(4-bromophenyl)-N-(3-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;328020-98-0

2-(4-bromophenyl)-N-(3-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes

541.5 g/mol

540.09833 g/mol

Characteristics

66.4 Ų

Computed Properties

Molecular Weight:541.5
XLogP3:7.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:540.09833
Monoisotopic Mass:540.09833
Topological Polar Surface Area:66.4
Heavy Atom Count:35
Complexity:736
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-(4-bromophenyl)-N-(3-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

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