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

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

6-(4-ethoxyphenyl)-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:
540500-11-6
Formula:
C31H30N4O2S
Chemical Name:
6-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
Oprea1_105933;ZINC2253962;STL003427;AKOS016361598;MCULE-6990063602;4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;540500-11-6

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6-(4-ethoxyphenyl)-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：

522.7 g/mol

Exact Mass：

522.20894739 g/mol

Characteristics

PSA：

84.8 Å²

Computed Properties

Molecular Weight:522.7
XLogP3:6.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:522.20894739
Monoisotopic Mass:522.20894739
Topological Polar Surface Area:84.8
Heavy Atom Count:38
Complexity:778
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-(4-ethoxyphenyl)-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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