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ethyl 2-[2-[2-(4-bromoanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate

ethyl 2-[2-[2-(4-bromoanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate structure

CAS No:
868223-98-7
Formula:
C21H19BrN2O5
Chemical Name:
ethyl 2-[2-[2-(4-bromoanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Synonyms:
868223-98-7;ethyl 2-[(2-{[(4-bromophenyl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetate;ethyl 2-((2-(2-((4-bromophenyl)amino)-2-oxoethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy)acetate;ZINC2712221;AKOS024610149;ethyl 2-[2-[2-(4-bromoanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate;MCULE-8493875471;F1808-0088

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

Molecular Weight：

459.3 g/mol

Exact Mass：

458.04773 g/mol

Characteristics

PSA：

84.9 Å²

Computed Properties

Molecular Weight:459.3
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:458.04773
Monoisotopic Mass:458.04773
Topological Polar Surface Area:84.9
Heavy Atom Count:29
Complexity:633
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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