 Home > Encyclopedia > 4-methylbenzenesulfonate;4-N-(1-methylpyridin-1-ium-3-yl)-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide

4-methylbenzenesulfonate;4-N-(1-methylpyridin-1-ium-3-yl)-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide

4-methylbenzenesulfonate;4-N-(1-methylpyridin-1-ium-3-yl)-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide structure

CAS No:
19147-00-3
Formula:
C41H39N5O9S2
Chemical Name:
4-methylbenzenesulfonate;4-N-(1-methylpyridin-1-ium-3-yl)-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
Synonyms:
SN 5673;19147-00-3;CHEMBL3230636;DTXSID10172666;Pyridinium, 1-methyl-3-(p-(p-((1-methylpyridinium-3-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate

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4-methylbenzenesulfonate;4-N-(1-methylpyridin-1-ium-3-yl)-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide Basic Attributes

Molecular Weight：

809.9 g/mol

Exact Mass：

809.21892019 g/mol

DSSTox ID：

DTXSID10172666

Characteristics

PSA：

226 Å²

Computed Properties

Molecular Weight:809.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:809.21892019
Monoisotopic Mass:809.21892019
Topological Polar Surface Area:226
Heavy Atom Count:57
Complexity:923
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 4-methylbenzenesulfonate;4-N-(1-methylpyridin-1-ium-3-yl)-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide

Basic Attributes
Characteristics
Computed Properties

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