 Home > Encyclopedia > Benzoicacid,4-[3-cyano-4-[3-[5-(dimethylamino)-2-furanyl]-1-(methoxycarbonyl)-2-propenylidene]-4,5-dihydro-5-oxo-1H-pyrazol-1-yl]-(9CI)

Benzoicacid,4-[3-cyano-4-[3-[5-(dimethylamino)-2-furanyl]-1-(methoxycarbonyl)-2-propenylidene]-4,5-dihydro-5-oxo-1H-pyrazol-1-yl]-(9CI)

Benzoicacid,4-[3-cyano-4-[3-[5-(dimethylamino)-2-furanyl]-1-(methoxycarbonyl)-2-propenylidene]-4,5-dihydro-5-oxo-1H-pyrazol-1-yl]-(9CI) structure

CAS No:
196929-24-5
Formula:
C22H18N4O6
Chemical Name:
Benzoicacid,4-[3-cyano-4-[3-[5-(dimethylamino)-2-furanyl]-1-(methoxycarbonyl)-2-propenylidene]-4,5-dihydro-5-oxo-1H-pyrazol-1-yl]-(9CI)
Synonyms:
4-[(4E)-3-Cyano-4-{(3E)-4-[5-(dimethylamino)-2-furyl]-1-methoxy-1-oxo-3-buten-2-ylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid;ZINC39127528

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Benzoicacid,4-[3-cyano-4-[3-[5-(dimethylamino)-2-furanyl]-1-(methoxycarbonyl)-2-propenylidene]-4,5-dihydro-5-oxo-1H-pyrazol-1-yl]-(9CI) Basic Attributes

Molecular Weight：

434.408

Exact Mass：

434.123

Characteristics

PSA：

136

XLogP3：

2.6

Computed Properties

Molecular Weight:434.4
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:434.12263431
Monoisotopic Mass:434.12263431
Topological Polar Surface Area:136
Heavy Atom Count:32
Complexity:920
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoicacid,4-[3-cyano-4-[3-[5-(dimethylamino)-2-furanyl]-1-(methoxycarbonyl)-2-propenylidene]-4,5-dihydro-5-oxo-1H-pyrazol-1-yl]-(9CI)

Basic Attributes
Characteristics
Computed Properties

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