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

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

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

CAS No:
540500-13-8
Formula:
C30H27ClN4OS
Chemical Name:
6-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
Oprea1_737292;ZINC2257908;STL005666;AKOS016359316;MCULE-6041302619;4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;540500-13-8

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

Molecular Weight：

527.1 g/mol

Exact Mass：

526.1594104 g/mol

Characteristics

PSA：

75.6 Å²

Computed Properties

Molecular Weight:527.1
XLogP3:7.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:526.1594104
Monoisotopic Mass:526.1594104
Topological Polar Surface Area:75.6
Heavy Atom Count:37
Complexity:765
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2-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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