[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-methyl-4-oxophthalazine-1-carboxylate
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![[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-methyl-4-oxophthalazine-1-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3a2d040ee114415cb5a321ff092462cc.png "[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-methyl-4-oxophthalazine-1-carboxylate")
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-methyl-4-oxophthalazine-1-carboxylate
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CAS No:
781623-89-0
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Formula:
C21H15N5O4
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Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-methyl-4-oxophthalazine-1-carboxylate
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Synonyms:
ZINC6537270;Z16600779;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate;781623-89-0
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CAS No:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-methyl-4-oxophthalazine-1-carboxylate Basic Attributes
401.4 g/mol
401.11240398 g/mol
Computed Properties
Molecular Weight:401.4
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:401.11240398
Monoisotopic Mass:401.11240398
Topological Polar Surface Area:132
Heavy Atom Count:30
Complexity:829
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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