6-(4-ethylphenyl)-2-(4-methoxyphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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![6-(4-ethylphenyl)-2-(4-methoxyphenyl)-N-phenyl-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/20220811/0ed21ffd224645c6a295eeea15def7b6.png "6-(4-ethylphenyl)-2-(4-methoxyphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide")
6-(4-ethylphenyl)-2-(4-methoxyphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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CAS No:
524036-79-1
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Formula:
C31H30N4OS
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Chemical Name:
6-(4-ethylphenyl)-2-(4-methoxyphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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Synonyms:
Oprea1_717757;ZINC2192658;STK768982;AKOS001744727;MCULE-2479626085;ST4073877;SR-01000539848;SR-01000539848-1;4-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;4-(4-ethylphenyl)-1-(4-methoxyphenyl)-N~3~-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;524036-79-1
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CAS No:
6-(4-ethylphenyl)-2-(4-methoxyphenyl)-N-phenyl-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
XLogP3:7.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:506.21403277
Monoisotopic Mass:506.21403277
Topological Polar Surface Area:75.6
Heavy Atom Count:37
Complexity:758
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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