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Home > Encyclopedia > ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-chloro-1H-indole-2-carboxylate

ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-chloro-1H-indole-2-carboxylate

ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-chloro-1H-indole-2-carboxylate structure

ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-chloro-1H-indole-2-carboxylate 

structure
  • CAS No:

    1164554-69-1

  • Formula:

    C21H17ClN2O5

  • Chemical Name:

    ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-chloro-1H-indole-2-carboxylate

  • Synonyms:

    MLS000589042;CHEMBL1401373;HMS2537C06;ZINC2361634;STK557104;AKOS005483105;SMR000219702;1164554-69-1;3-((E)-3-Benzo[1,3]dioxol-5-yl-acryloylamino)-5-chloro-1H-indole-2-carboxylic acid ethyl ester;ethyl 3-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5-chloro-1H-indole-2-carboxylate

ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-chloro-1H-indole-2-carboxylate Basic Attributes

412.8 g/mol

412.0825993 g/mol

Characteristics

89.6 Ų

Computed Properties

Molecular Weight:412.8
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:412.0825993
Monoisotopic Mass:412.0825993
Topological Polar Surface Area:89.6
Heavy Atom Count:29
Complexity:645
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-chloro-1H-indole-2-carboxylate

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