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ethyl 2-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate

ethyl 2-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate structure

CAS No:
868224-01-5
Formula:
C22H21ClN2O5
Chemical Name:
ethyl 2-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Synonyms:
868224-01-5;ethyl 2-((2-(2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy)acetate;ethyl 2-[(2-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetate;ZINC2712225;AKOS024610152;MCULE-3860353338;ethyl 2-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate;AB00686544-01;F1808-0091

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ethyl 2-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Basic Attributes

Molecular Weight：

428.9 g/mol

Exact Mass：

428.1138995 g/mol

Characteristics

PSA：

84.9 Å²

Computed Properties

Molecular Weight:428.9
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:428.1138995
Monoisotopic Mass:428.1138995
Topological Polar Surface Area:84.9
Heavy Atom Count:30
Complexity:670
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate

Basic Attributes
Characteristics
Computed Properties
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