6-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-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-chlorophenyl)-N-(2,5-dimethylphenyl)-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/20220811/4400eba4647a4f71bf54f8273d4945ce.png "6-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide")
6-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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CAS No:
540774-28-5
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Formula:
C31H29ClN4S
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Chemical Name:
6-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-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:
C31H29ClN4S;ZINC2246614;STK771590;AKOS016365350;MCULE-5910945929;1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide;4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;540774-28-5
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CAS No:
6-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes
525.1 g/mol
524.1801458 g/mol
Computed Properties
Molecular Weight:525.1
XLogP3:8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:524.1801458
Monoisotopic Mass:524.1801458
Topological Polar Surface Area:66.4
Heavy Atom Count:37
Complexity:794
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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