 Home > Encyclopedia > 4-methylbenzenesulfonate;1-N-[4-[(1-methylquinolin-1-ium-6-carbonyl)amino]phenyl]-4-N-(1-methylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide

4-methylbenzenesulfonate;1-N-[4-[(1-methylquinolin-1-ium-6-carbonyl)amino]phenyl]-4-N-(1-methylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide

4-methylbenzenesulfonate;1-N-[4-[(1-methylquinolin-1-ium-6-carbonyl)amino]phenyl]-4-N-(1-methylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide structure

CAS No:
19056-06-5
Formula:
C49H43N5O9S2
Chemical Name:
4-methylbenzenesulfonate;1-N-[4-[(1-methylquinolin-1-ium-6-carbonyl)amino]phenyl]-4-N-(1-methylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide
Synonyms:
19056-06-5;Quinolinium, 1-methyl-6-((p-(p-((1-methylquinolinium-6-yl)carbamoyl)benzamido)phenyl)carbamoyl)-, di-p-toluenesulfonate;CHEMBL3230628;DTXSID00172534

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4-methylbenzenesulfonate;1-N-[4-[(1-methylquinolin-1-ium-6-carbonyl)amino]phenyl]-4-N-(1-methylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide Basic Attributes

Molecular Weight：

910.0 g/mol

Exact Mass：

909.25022031 g/mol

DSSTox ID：

DTXSID00172534

Characteristics

PSA：

226 Å²

Computed Properties

Molecular Weight:910.0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:909.25022031
Monoisotopic Mass:909.25022031
Topological Polar Surface Area:226
Heavy Atom Count:65
Complexity:1170
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 4-methylbenzenesulfonate;1-N-[4-[(1-methylquinolin-1-ium-6-carbonyl)amino]phenyl]-4-N-(1-methylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide

Basic Attributes
Characteristics
Computed Properties

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