6-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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![6-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(4-methylphenyl)-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/b80250720c5b481ea046303ba0913cbf.png "6-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide")
6-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
structure -
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CAS No:
540774-21-8
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Formula:
C31H30N4OS
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Chemical Name:
6-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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Synonyms:
Oprea1_099942;ZINC2253981;STK771586;AKOS005615329;MCULE-5601237911;1-(4-methoxyphenyl)-N-(o-tolyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide;4-(4-methoxyphenyl)-N-(2-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;540774-21-8
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CAS No:
6-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes
506.7 g/mol
506.21403277 g/mol
Computed Properties
Molecular Weight:506.7
XLogP3:7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:506.21403277
Monoisotopic Mass:506.21403277
Topological Polar Surface Area:75.6
Heavy Atom Count:37
Complexity:779
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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