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Home > Encyclopedia > 5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide (2Z)-2-butenedioate (1:1)

5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide (2Z)-2-butenedioate (1:1)

5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide (2Z)-2-butenedioate (1:1) structure

5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide (2Z)-2-butenedioate (1:1) 

structure
  • CAS No:

    957104-91-5

  • Formula:

    C26H31FN7O6P.C4H4O4

  • Chemical Name:

    5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide (2Z)-2-butenedioate (1:1)

  • Synonyms:

    5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide (2Z)-2-butenedioate (1:1);104E915;(Z)-but-2-enedioic acid;2-[ethyl-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;2-(Ethyl(3-((4-((5-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-3-yl)amino)quinazolin-7-yl)oxy)propyl)amino)ethyl dihydrogen phosphate (2Z)-2-butenedioate

5-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide (2Z)-2-butenedioate (1:1) Basic Attributes

703.62

703.21700

Characteristics

265.95000

3.40010

Computed Properties

Molecular Weight:703.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:17
Exact Mass:703.21670550
Monoisotopic Mass:703.21670550
Topological Polar Surface Area:249
Heavy Atom Count:49
Complexity:978
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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