 Home > Encyclopedia > N-(4-chlorophenyl)-6-(4-fluorophenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

N-(4-chlorophenyl)-6-(4-fluorophenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

N-(4-chlorophenyl)-6-(4-fluorophenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide structure

CAS No:
488706-56-5
Formula:
C30H25ClFN3S
Chemical Name:
N-(4-chlorophenyl)-6-(4-fluorophenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
C30H25ClFN3S;ZINC2335418;STK660309;AKOS005591058;MCULE-8427820176;488706-56-5;N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide

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N-(4-chlorophenyl)-6-(4-fluorophenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes

Molecular Weight：

514.1 g/mol

Exact Mass：

513.1441748 g/mol

Characteristics

PSA：

53.5 Å²

Computed Properties

Molecular Weight:514.1
XLogP3:8.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:513.1441748
Monoisotopic Mass:513.1441748
Topological Polar Surface Area:53.5
Heavy Atom Count:36
Complexity:759
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(4-chlorophenyl)-6-(4-fluorophenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

Basic Attributes
Characteristics
Computed Properties

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