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ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate

ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate structure

CAS No:
868224-24-2
Formula:
C23H22N2O7
Chemical Name:
ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Synonyms:
868224-24-2;ethyl 2-((2-(2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy)acetate;ethyl 2-{[2-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}acetate;MLS000103670;CHEMBL1412207;HMS1654J06;HMS2239E04;HMS3366K09;ZINC2712246;AKOS024610172;MCULE-4426200725;ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate;SMR000017935;AB00435237-03;F1808-0112

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ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Basic Attributes

Molecular Weight：

438.4 g/mol

Exact Mass：

438.14270105 g/mol

Characteristics

PSA：

103 Å²

XLogP3：

2.3794

Computed Properties

Molecular Weight:438.4
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:438.14270105
Monoisotopic Mass:438.14270105
Topological Polar Surface Area:103
Heavy Atom Count:32
Complexity:727
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate

Basic Attributes
Characteristics
Computed Properties
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