[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-ethyl-4-oxophthalazine-1-carboxylate
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![[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-ethyl-4-oxophthalazine-1-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8df69ebc20434557b085bfd27ccb496d.png "[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-ethyl-4-oxophthalazine-1-carboxylate")
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-ethyl-4-oxophthalazine-1-carboxylate
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CAS No:
749908-27-8
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Formula:
C22H17N5O4
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Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-ethyl-4-oxophthalazine-1-carboxylate
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Synonyms:
ZINC6007231;Z15462700;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate;749908-27-8
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CAS No:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-ethyl-4-oxophthalazine-1-carboxylate Basic Attributes
415.4 g/mol
415.12805404 g/mol
Computed Properties
Molecular Weight:415.4
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:415.12805404
Monoisotopic Mass:415.12805404
Topological Polar Surface Area:132
Heavy Atom Count:31
Complexity:844
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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