 Home > Encyclopedia > 2-[[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile

2-[[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile

2-[[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile structure

CAS No:
345336-53-0
Formula:
C26H18N4O4
Chemical Name:
2-[[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile
Synonyms:
ZINC9013431;STK582616;AKOS005506172;AKOS030514249;(E)-2-((3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile;2-[(3-{(E)-[1-(furan-2-ylmethyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile;345336-53-0

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2-[[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile Basic Attributes

Molecular Weight：

450.4 g/mol

Exact Mass：

450.13280507 g/mol

Characteristics

PSA：

108 Å²

Computed Properties

Molecular Weight:450.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:450.13280507
Monoisotopic Mass:450.13280507
Topological Polar Surface Area:108
Heavy Atom Count:34
Complexity:908
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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