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N-(4-ethoxyphenyl)-2,6-diphenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
N-(4-ethoxyphenyl)-2,6-diphenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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![N-(4-ethoxyphenyl)-2,6-diphenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b23502a1396f4985b721b1f9275882df.png "N-(4-ethoxyphenyl)-2,6-diphenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide")
N-(4-ethoxyphenyl)-2,6-diphenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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CAS No:
397291-03-1
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Formula:
C31H29N3OS
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Chemical Name:
N-(4-ethoxyphenyl)-2,6-diphenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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Synonyms:
ZINC1747162;STK772429;AKOS002222339;MCULE-7521171125;ST50113992;397291-03-1;N-(4-ethoxyphenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
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CAS No:
N-(4-ethoxyphenyl)-2,6-diphenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes
491.6 g/mol
491.20313373 g/mol
Computed Properties
Molecular Weight:491.6
XLogP3:7.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:491.20313373
Monoisotopic Mass:491.20313373
Topological Polar Surface Area:62.7
Heavy Atom Count:36
Complexity:727
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of N-(4-ethoxyphenyl)-2,6-diphenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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