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1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane

1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane structure

CAS No:
94530-07-1
Formula:
C29H38N4O6S3
Chemical Name:
1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
Synonyms:
1,4,7-Tritosyl-1,4,7,10-tetraazacyclododecane;94530-07-1;NSC677645;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane;1,4,7-tris(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane;ACMC-20byh9;SCHEMBL6013980;CHEMBL1982221;DTXSID60327700;ZINC5539106;MFCD27501025;1,4,7,10-Tetraazacyclododecane, 1,4,7-tris[(4-methylphenyl)sulfonyl]-;AKOS024462484;NSC-677645;NCI60_027718;4,7,10-tris(p-toluenesulfonyl)-1,4,7,10-tetraazacyclododecane;1,4,7-Tris((4-methylphenyl)sulfonyl)-1,4,7,10-tetraazacyclododecane

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1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Basic Attributes

Molecular Weight：

634.8 g/mol

Exact Mass：

634.19534847 g/mol

NSC Number：

677645

DSSTox ID：

DTXSID60327700

Characteristics

PSA：

149 Å²

Computed Properties

Molecular Weight:634.8
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:634.19534847
Monoisotopic Mass:634.19534847
Topological Polar Surface Area:149
Heavy Atom Count:42
Complexity:1090
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane

Basic Attributes
Characteristics
Computed Properties

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