(S)-2-allyl-1,3-dioxo-N-((4-(trifluoromethyl)phenyl)(3-(trifluoromethyl)pyridin-2-yl)methyl)isoindoline-5-carboxamide

HCID 86687965
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Basic information

Standard SMILES
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(C(F)(F)F)cc3)c3ncccc3C(F)(F)F)cc2C1=O
InChIKey
AVHJVDVKUABAKB-FQEVSTJZSA-N
Molecular formula
C26H17F6N3O3
Average molar mass
533.4 g/mol
Monoisotopic mass
533.11741039

Names & identifiers

Preferred name
(S)-2-allyl-1,3-dioxo-N-((4-(trifluoromethyl)phenyl)(3-(trifluoromethyl)pyridin-2-yl)methyl)isoindoline-5-carboxamide
IUPAC
1,3-dioxo-2-prop-2-enyl-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoindole-5-carboxamide

Names & synonyms

(S)-2-allyl-1,3-dioxo-N-((4-(trifluoromethyl)phenyl)(3-(trifluoromethyl)pyridin-2-yl)methyl)isoindoline-5-carboxamideSCHEMBL14333282

Database identifiers

PubChem CID
86687965

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
79.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
6
Heavy atoms
38

Related reactions

4 records
New reaction record

Linked notes

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