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

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

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

CAS No:
488100-54-5
Formula:
C32H30ClN3OS
Chemical Name:
2-(4-chlorophenyl)-N-(4-ethylphenyl)-6-(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
ZINC2327063;STK603278;AKOS005539229;MCULE-9744437204;4-(4-chlorophenyl)-N-(4-ethylphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide;488100-54-5

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

Molecular Weight：

540.1 g/mol

Exact Mass：

539.1798115 g/mol

Characteristics

PSA：

62.7 Å²

Computed Properties

Molecular Weight:540.1
XLogP3:8.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:539.1798115
Monoisotopic Mass:539.1798115
Topological Polar Surface Area:62.7
Heavy Atom Count:38
Complexity:790
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-chlorophenyl)-N-(4-ethylphenyl)-6-(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

Basic Attributes
Characteristics
Computed Properties

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