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Home > Encyclopedia > 2-Propenoic acid, 3-(5-nitro-1-cyclohexen-1-yl)-, (1R)-4-(diphenylaMino)-1-Methyl-4-oxo-2-butyn-1-yl ester, (2E)-

2-Propenoic acid, 3-(5-nitro-1-cyclohexen-1-yl)-, (1R)-4-(diphenylaMino)-1-Methyl-4-oxo-2-butyn-1-yl ester, (2E)-

2-Propenoic acid, 3-(5-nitro-1-cyclohexen-1-yl)-, (1R)-4-(diphenylaMino)-1-Methyl-4-oxo-2-butyn-1-yl ester, (2E)- structure

2-Propenoic acid, 3-(5-nitro-1-cyclohexen-1-yl)-, (1R)-4-(diphenylaMino)-1-Methyl-4-oxo-2-butyn-1-yl ester, (2E)- 

structure
  • CAS No:

    899809-60-0

  • Formula:

    C26H24N2O5

  • Chemical Name:

    2-Propenoic acid, 3-(5-nitro-1-cyclohexen-1-yl)-, (1R)-4-(diphenylaMino)-1-Methyl-4-oxo-2-butyn-1-yl ester, (2E)-

  • Synonyms:

    2-Propenoic acid, 3-(5-nitro-1-cyclohexen-1-yl)-, (1R)-4-(diphenylaMino)-1-Methyl-4-oxo-2-butyn-1-yl ester, (2E)-;[[5-(3-fluorophenyl)-2-pyridinyl]Methyl]-, diethyl ester;(E)-((R)-5-(diphenylamino)-5-oxopent-3-yn-2-yl) 3-(5-nitrocyclohex-1-enyl)acrylate;(E)-(R,Z)-5-(diphenylamino)-5-oxopent-3-en-2-yl 3-(5-nitrocyclohex-1-en-1-yl)acrylate

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

2-Propenoic acid, 3-(5-nitro-1-cyclohexen-1-yl)-, (1R)-4-(diphenylaMino)-1-Methyl-4-oxo-2-butyn-1-yl ester, (2E)- Basic Attributes

444.47916

444.16900

Characteristics

92.43000

5.12140

1.27±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:444.5
XLogP3:4.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:444.16852187
Monoisotopic Mass:444.16852187
Topological Polar Surface Area:92.4
Heavy Atom Count:33
Complexity:814
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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