6-(4-chlorophenyl)-N-(2-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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![6-(4-chlorophenyl)-N-(2-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/20220812/6ab7c8952cde4f99ac7720d33241533d.png "6-(4-chlorophenyl)-N-(2-methoxyphenyl)-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-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:
540774-27-4
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Formula:
C30H27ClN4OS
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Chemical Name:
6-(4-chlorophenyl)-N-(2-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:
ZINC2258005;STK771591;AKOS005615532;MCULE-6934769574;1-(4-chlorophenyl)-N-(2-methoxyphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide;4-(4-chlorophenyl)-N-(2-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;540774-27-4
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CAS No:
6-(4-chlorophenyl)-N-(2-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:786
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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