2-(4-bromophenyl)-6-phenyl-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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![2-(4-bromophenyl)-6-phenyl-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/250ad9c9b08542528cfba824f737f542.png "2-(4-bromophenyl)-6-phenyl-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide")
2-(4-bromophenyl)-6-phenyl-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
structure -
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CAS No:
313396-01-9
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Formula:
C25H23BrN4S
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Chemical Name:
2-(4-bromophenyl)-6-phenyl-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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Synonyms:
C25H23BrN4S;313396-01-9;2-(4-bromophenyl)-6-phenyl-N-(prop-2-en-1-yl)-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene-5-carbothioamide;ChemDiv1_020793;Oprea1_075503;HMS646B03;ZINC2244642;STL006281;AKOS001012854;MCULE-5315111718;ST50113962;SR-01000424829;SR-01000424829-1;F0386-0026;1-(4-bromophenyl)-4-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;2-(4-bromophenyl)-6-phenyl-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide;N-allyl-1-(4-bromophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;N-allyl-4-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide
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CAS No:
2-(4-bromophenyl)-6-phenyl-N-prop-2-enyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes
491.4 g/mol
490.08268 g/mol
Computed Properties
Molecular Weight:491.4
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:490.08268
Monoisotopic Mass:490.08268
Topological Polar Surface Area:66.4
Heavy Atom Count:31
Complexity:645
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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