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ethyl 4-[3-hydroxy-1-oxo-4-(pyridin-3-yliminomethyl)isoquinolin-2-yl]benzoate

ethyl 4-[3-hydroxy-1-oxo-4-(pyridin-3-yliminomethyl)isoquinolin-2-yl]benzoate structure

CAS No:
721405-72-7
Formula:
C24H19N3O4
Chemical Name:
ethyl 4-[3-hydroxy-1-oxo-4-(pyridin-3-yliminomethyl)isoquinolin-2-yl]benzoate
Synonyms:
ZINC6173849;AKOS034157402;ZINC102986696;MCULE-5695853995;Z31276358;721405-72-7;ethyl 4-(1,3-dioxo-4-{[(pyridin-3-yl)amino]methylidene}-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate

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ethyl 4-[3-hydroxy-1-oxo-4-(pyridin-3-yliminomethyl)isoquinolin-2-yl]benzoate Basic Attributes

Molecular Weight：

413.4 g/mol

Exact Mass：

413.13755610 g/mol

Characteristics

PSA：

92.1 Å²

Computed Properties

Molecular Weight:413.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:413.13755610
Monoisotopic Mass:413.13755610
Topological Polar Surface Area:92.1
Heavy Atom Count:31
Complexity:726
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[3-hydroxy-1-oxo-4-(pyridin-3-yliminomethyl)isoquinolin-2-yl]benzoate

Basic Attributes
Characteristics
Computed Properties
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