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Home > Encyclopedia > (3S)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

(3S)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

(3S)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid structure

(3S)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 

structure
  • CAS No:

    1212461-38-5

  • Formula:

    C17H14F3NO4S

  • Chemical Name:

    (3S)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

  • Synonyms:

    ZINC3268044;EN300-87535;(3S)-2-[2-(Trifluoromethyl)benzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;1212461-38-5

(3S)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Basic Attributes

385.4 g/mol

385.05956359 g/mol

Characteristics

83.1 Ų

Computed Properties

Molecular Weight:385.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:385.05956359
Monoisotopic Mass:385.05956359
Topological Polar Surface Area:83.1
Heavy Atom Count:26
Complexity:631
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (3S)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

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