N-(4-chlorophenyl)-2,6-bis(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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N-(4-chlorophenyl)-2,6-bis(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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CAS No:
488717-57-3
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Formula:
C31H28ClN3O2S
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Chemical Name:
N-(4-chlorophenyl)-2,6-bis(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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Synonyms:
ZINC2337011;STK783811;AKOS005615487;MCULE-2611106805;488717-57-3;N-(4-chlorophenyl)-1,4-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
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CAS No:
N-(4-chlorophenyl)-2,6-bis(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes
542.1 g/mol
541.1590760 g/mol
Computed Properties
Molecular Weight:542.1
XLogP3:7.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:541.1590760
Monoisotopic Mass:541.1590760
Topological Polar Surface Area:71.9
Heavy Atom Count:38
Complexity:794
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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