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2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one

2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one structure

CAS No:
124916-54-7
Formula:
C20H18F3NO4
Chemical Name:
2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one
Synonyms:
2-(3,4-dihydro-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-2H-1-benzopyran-4-yl)-2,3-dihydro-1H-isoindol-1-one;celikalim;WAY 120491;WAY 120491, (trans)-isomer;WAY-120,491;WAY-120491;Celikalim;WAY-120491;UNII-018NME21ED;018NME21ED;124916-54-7;Way-120,491;CHEMBL279392;SCHEMBL4254850;DTXSID90924963;2-(3,4-Dihydro-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-2H-1-benzopyran-4-yl)-2,3-dihydro-1H-isoindol-1-one;2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one;2-((3S,4R)-3-Hydroxy-2,2-dimethyl-6-(trifluoromethoxy)chroman-4-yl)isoindolin-1-one;1H-Isoindol-1-one, 2-(3,4-dihydro-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-2H-1-benzopyran-4-yl)-2,3-dihydro-, (3S-trans)-;2-[3-Hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-2,3-dihydro-1H-isoindol-1-one

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2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one Basic Attributes

Molecular Weight：

393.4 g/mol

Exact Mass：

393.11879254 g/mol

UNII：

018NME21ED

Characteristics

PSA：

59 Å²

Drug Information

MeSH Entry Terms：

2-(3,4-dihydro-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-2H-1-benzopyran-4-yl)-2,3-dihydro-1H-isoindol-1-one

Computed Properties

Molecular Weight:393.4
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:393.11879254
Monoisotopic Mass:393.11879254
Topological Polar Surface Area:59
Heavy Atom Count:28
Complexity:611
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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