6-(4-fluorophenyl)-N-(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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6-(4-fluorophenyl)-N-(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:
496775-10-1
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Formula:
C31H28FN3OS
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Chemical Name:
6-(4-fluorophenyl)-N-(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:
C31H28FN3OS;ZINC2300918;STK783839;AKOS005614857;MCULE-8543137262;1-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide;496775-10-1
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CAS No:
6-(4-fluorophenyl)-N-(4-methoxyphenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes
509.6 g/mol
509.19371186 g/mol
Computed Properties
Molecular Weight:509.6
XLogP3:7.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:509.19371186
Monoisotopic Mass:509.19371186
Topological Polar Surface Area:62.7
Heavy Atom Count:37
Complexity:774
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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