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

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

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

CAS No:
497866-60-1
Formula:
C31H27Cl2N3S
Chemical Name:
2,6-bis(4-chlorophenyl)-N-(4-ethylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
C31H27Cl2N3S;ZINC2346087;STK783824;AKOS005614871;MCULE-9785376772;1,4-bis(4-chlorophenyl)-N-(4-ethylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide;497866-60-1

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

Molecular Weight：

544.5 g/mol

Exact Mass：

543.1302744 g/mol

Characteristics

PSA：

53.5 Å²

Computed Properties

Molecular Weight:544.5
XLogP3:9.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:543.1302744
Monoisotopic Mass:543.1302744
Topological Polar Surface Area:53.5
Heavy Atom Count:37
Complexity:772
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,6-bis(4-chlorophenyl)-N-(4-ethylphenyl)-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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