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2-chloro-1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;4-methylbenzenesulfonate

2-chloro-1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;4-methylbenzenesulfonate structure

CAS No:
16802-50-9
Formula:
C50H47ClN6O10S2
Chemical Name:
2-chloro-1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;4-methylbenzenesulfonate
Synonyms:
16802-50-9;Pyridinium, 3,3'-(2-chloroterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate;CHEMBL3230689;DTXSID90168461

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

Molecular Weight：

991.5 g/mol

Exact Mass：

990.2483618 g/mol

DSSTox ID：

DTXSID90168461

Characteristics

PSA：

255 Å²

Computed Properties

Molecular Weight:991.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:990.2483618
Monoisotopic Mass:990.2483618
Topological Polar Surface Area:255
Heavy Atom Count:69
Complexity:1260
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 2-chloro-1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;4-methylbenzenesulfonate

Basic Attributes
Characteristics
Computed Properties

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