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Home > Encyclopedia > methyl (E)-3-[(Z)-cyano-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)methyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate

methyl (E)-3-[(Z)-cyano-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)methyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate

methyl (E)-3-[(Z)-cyano-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)methyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate structure

methyl (E)-3-[(Z)-cyano-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)methyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate 

structure
  • CAS No:

    836629-82-4

  • Formula:

    C18H16F4N2O2S

  • Chemical Name:

    methyl (E)-3-[(Z)-cyano-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)methyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate

  • Synonyms:

    C18H16F4N2O2S;STL317754;ZINC31919519;AKOS022102569;836629-82-4;methyl (2E)-3-{[(Z)-cyano(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)methyl]sulfanyl}-3-fluoro-2-(trifluoromethyl)prop-2-enoate

methyl (E)-3-[(Z)-cyano-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)methyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate Basic Attributes

400.4 g/mol

400.08686158 g/mol

Characteristics

87.4 Ų

Computed Properties

Molecular Weight:400.4
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:400.08686158
Monoisotopic Mass:400.08686158
Topological Polar Surface Area:87.4
Heavy Atom Count:27
Complexity:719
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (E)-3-[(Z)-cyano-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)methyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate

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