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Home > Encyclopedia > 2-ButenaMide, 4-(diMethylaMino)-N-[4-[[3,6-dioxo-4-(phenylMethoxy)-1,4-cyclohexadien-1-yl]aMino]-7-ethoxy-6-quinazolinyl]-, (2E)-

2-ButenaMide, 4-(diMethylaMino)-N-[4-[[3,6-dioxo-4-(phenylMethoxy)-1,4-cyclohexadien-1-yl]aMino]-7-ethoxy-6-quinazolinyl]-, (2E)-

2-ButenaMide, 4-(diMethylaMino)-N-[4-[[3,6-dioxo-4-(phenylMethoxy)-1,4-cyclohexadien-1-yl]aMino]-7-ethoxy-6-quinazolinyl]-, (2E)- structure

2-ButenaMide, 4-(diMethylaMino)-N-[4-[[3,6-dioxo-4-(phenylMethoxy)-1,4-cyclohexadien-1-yl]aMino]-7-ethoxy-6-quinazolinyl]-, (2E)- 

structure
  • CAS No:

    870962-74-6

  • Formula:

    C29H29N5O5

  • Chemical Name:

    2-ButenaMide, 4-(diMethylaMino)-N-[4-[[3,6-dioxo-4-(phenylMethoxy)-1,4-cyclohexadien-1-yl]aMino]-7-ethoxy-6-quinazolinyl]-, (2E)-

  • Synonyms:

    CHEMBL243629;2-Butenamide,4-(dimethylamino)-N-[4-[[3,6-dioxo-4-(phenylmethoxy)-1,4-cyclohexadien-1-yl]amino]-7-ethoxy-6-quinazolinyl]-,(2E)-;SCHEMBL5652584;SCHEMBL5652594;BDBM50209879;ZINC100460722;(2E)-N-(4-{[4-(benzyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino}-7-ethoxyquinazolin-6-yl)-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[4-[(3,6-dioxo-4-phenylmethoxycyclohexa-1,4-dien-1-yl)amino]-7-ethoxyquinazolin-6-yl]but-2-enamide

2-ButenaMide, 4-(diMethylaMino)-N-[4-[[3,6-dioxo-4-(phenylMethoxy)-1,4-cyclohexadien-1-yl]aMino]-7-ethoxy-6-quinazolinyl]-, (2E)- Basic Attributes

527.57106

527.217

Characteristics

123

3.2

Computed Properties

Molecular Weight:527.6
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:527.21686904
Monoisotopic Mass:527.21686904
Topological Polar Surface Area:123
Heavy Atom Count:39
Complexity:971
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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