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

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

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

CAS No:
540774-22-9
Formula:
C31H30N4OS
Chemical Name:
6-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
Oprea1_732986;ZINC2247125;STL006608;AKOS016365443;MCULE-8104230407;4-(4-methoxyphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;540774-22-9

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

Molecular Weight：

506.7 g/mol

Exact Mass：

506.21403277 g/mol

Characteristics

PSA：

75.6 Å²

Computed Properties

Molecular Weight:506.7
XLogP3:7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:506.21403277
Monoisotopic Mass:506.21403277
Topological Polar Surface Area:75.6
Heavy Atom Count:37
Complexity:779
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(4-methylphenyl)-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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