[2-(azepan-1-yl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
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![[2-(azepan-1-yl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/916da236c6c9476eb5d473ccd72bb682.png "[2-(azepan-1-yl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate")
[2-(azepan-1-yl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
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CAS No:
455881-30-8
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Formula:
C17H19N3O4
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Chemical Name:
[2-(azepan-1-yl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
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Synonyms:
MLS000089292;Oprea1_063663;CHEMBL1511370;HMS1724I20;HMS2339D06;ZINC8772796;AKOS034465015;MCULE-7602139645;SMR000062782;SR-01000042141;SR-01000042141-1;Z56906385;2-(azepan-1-yl)-2-oxoethyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate;455881-30-8
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CAS No:
[2-(azepan-1-yl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Basic Attributes
329.35 g/mol
329.13755610 g/mol
Computed Properties
Molecular Weight:329.35
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:329.13755610
Monoisotopic Mass:329.13755610
Topological Polar Surface Area:88.1
Heavy Atom Count:24
Complexity:538
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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