2-Acetamidoethyl 3-(4-((5-chloro-2,2-dimethyl-2,3-dihydrobenzofuran-7-yl)methoxy)-3-(trifluoromethyl)phenyl)-2-methylpropanoate

HCID 46836613
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Basic information

Standard SMILES
CC(=O)NCCOC(=O)C(C)Cc1ccc(OCc2cc(Cl)cc3c2OC(C)(C)C3)c(C(F)(F)F)c1
InChIKey
ZVUNUUJTDQXDKR-UHFFFAOYSA-N
Molecular formula
C26H29ClF3NO5
Average molar mass
528 g/mol
Monoisotopic mass
527.1686352

Names & identifiers

Preferred name
2-Acetamidoethyl 3-(4-((5-chloro-2,2-dimethyl-2,3-dihydrobenzofuran-7-yl)methoxy)-3-(trifluoromethyl)phenyl)-2-methylpropanoate
IUPAC
2-acetamidoethyl 3-[4-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-methylpropanoate

Names & synonyms

2-acetamidoethyl 3-(4-((5-chloro-2,2-dimethyl-2,3-dihydrobenzofuran-7-yl)methoxy)-3-(trifluoromethyl)phenyl)-2-methylpropanoateSCHEMBL2431548

Database identifiers

PubChem CID
46836613

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
36

Related reactions

6 records
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Compound notes

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