N-(4-ethylphenyl)-6-(4-methoxyphenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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N-(4-ethylphenyl)-6-(4-methoxyphenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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CAS No:
497248-00-7
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Formula:
C33H33N3OS
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Chemical Name:
N-(4-ethylphenyl)-6-(4-methoxyphenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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Synonyms:
ZINC2289690;STK650286;AKOS005581065;MCULE-8048869884;497248-00-7;N-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
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CAS No:
N-(4-ethylphenyl)-6-(4-methoxyphenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes
519.7 g/mol
519.23443386 g/mol
Computed Properties
Molecular Weight:519.7
XLogP3:8.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:519.23443386
Monoisotopic Mass:519.23443386
Topological Polar Surface Area:62.7
Heavy Atom Count:38
Complexity:783
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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