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

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

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

CAS No:
540773-44-2
Formula:
C29H25ClN4OS
Chemical Name:
6-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
Oprea1_462302;ZINC2255970;STL006293;AKOS005683294;MCULE-8485647238;4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;540773-44-2

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

Molecular Weight：

513.1 g/mol

Exact Mass：

512.1437603 g/mol

Characteristics

PSA：

75.6 Å²

Computed Properties

Molecular Weight:513.1
XLogP3:6.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:512.1437603
Monoisotopic Mass:512.1437603
Topological Polar Surface Area:75.6
Heavy Atom Count:36
Complexity:750
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-(4-chlorophenyl)-2-(4-methoxyphenyl)-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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