N-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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![N-(4-chlorophenyl)-6-(4-methoxyphenyl)-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/c8072a957968449a83d279aa11297549.png "N-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide")
N-(4-chlorophenyl)-6-(4-methoxyphenyl)-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:
540774-19-4
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Formula:
C30H27ClN4OS
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Chemical Name:
N-(4-chlorophenyl)-6-(4-methoxyphenyl)-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_332658;ZINC2246248;STK771585;AKOS016365444;MCULE-8805248366;540774-19-4;N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide;N-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
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CAS No:
N-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes
527.1 g/mol
526.1594104 g/mol
Computed Properties
Molecular Weight:527.1
XLogP3:7.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:526.1594104
Monoisotopic Mass:526.1594104
Topological Polar Surface Area:75.6
Heavy Atom Count:37
Complexity:778
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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