2-(4-chlorophenyl)-N-(2-methylphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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2-(4-chlorophenyl)-N-(2-methylphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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CAS No:
488100-16-9
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Formula:
C31H28ClN3S
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Chemical Name:
2-(4-chlorophenyl)-N-(2-methylphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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Synonyms:
ZINC2326945;STK783831;AKOS005615519;MCULE-9061864558;4-(4-chlorophenyl)-N-(2-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide;488100-16-9
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CAS No:
2-(4-chlorophenyl)-N-(2-methylphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes
510.1 g/mol
509.1692468 g/mol
Computed Properties
Molecular Weight:510.1
XLogP3:8.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:509.1692468
Monoisotopic Mass:509.1692468
Topological Polar Surface Area:53.5
Heavy Atom Count:36
Complexity:761
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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