Ethyl 4-(((5-chloro-6-isopropoxypyridin-3-yl)oxy)methyl)-2,5-difluorobenzoate

HCID 89619166
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Basic information

Standard SMILES
CCOC(=O)c1cc(F)c(COc2cnc(OC(C)C)c(Cl)c2)cc1F
InChIKey
WSMZTYHHWHYGSH-UHFFFAOYSA-N
Molecular formula
C18H18ClF2NO4
Average molar mass
385.8 g/mol
Monoisotopic mass
385.0892421

Names & identifiers

Preferred name
Ethyl 4-(((5-chloro-6-isopropoxypyridin-3-yl)oxy)methyl)-2,5-difluorobenzoate
IUPAC
ethyl 4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-2,5-difluorobenzoate

Names & synonyms

Ethyl 4-(((5-chloro-6-isopropoxypyridin-3-yl)oxy)methyl)-2,5-difluorobenzoateEthyl 4-{[(5-chloro-6-isopropoxypyridin-3-yl)oxy]methyl}-2,5-difluorobenzoateSCHEMBL15018161WSMZTYHHWHYGSH-UHFFFAOYSA-N1443432-66-3

Database identifiers

PubChem CID
89619166

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
57.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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