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

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

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

CAS No:
488137-86-6
Formula:
C30H25Cl2N3OS
Chemical Name:
2,6-bis(4-chlorophenyl)-N-(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
ZINC2335078;STK606965;AKOS005542674;MCULE-1046837083;1,4-bis(4-chlorophenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide;488137-86-6

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

Molecular Weight：

546.5 g/mol

Exact Mass：

545.1095390 g/mol

Characteristics

PSA：

62.7 Å²

Computed Properties

Molecular Weight:546.5
XLogP3:8.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:545.1095390
Monoisotopic Mass:545.1095390
Topological Polar Surface Area:62.7
Heavy Atom Count:37
Complexity:779
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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