 Home > Encyclopedia > 6-(4-ethylphenyl)-2-(4-methylphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

6-(4-ethylphenyl)-2-(4-methylphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

6-(4-ethylphenyl)-2-(4-methylphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide structure

CAS No:
540774-46-7
Formula:
C31H30N4S
Chemical Name:
6-(4-ethylphenyl)-2-(4-methylphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
C31H30N4S;ZINC2251118;STK771593;AKOS005617292;MCULE-4512222400;1-(4-ethylphenyl)-N-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide;4-(4-ethylphenyl)-1-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;540774-46-7

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6-(4-ethylphenyl)-2-(4-methylphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes

Molecular Weight：

490.7 g/mol

Exact Mass：

490.21911815 g/mol

Characteristics

PSA：

66.4 Å²

Computed Properties

Molecular Weight:490.7
XLogP3:7.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:490.21911815
Monoisotopic Mass:490.21911815
Topological Polar Surface Area:66.4
Heavy Atom Count:36
Complexity:737
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-(4-ethylphenyl)-2-(4-methylphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

Basic Attributes
Characteristics
Computed Properties

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