{(S)-6-[(R)-4-bromo-7-fluoro-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester

HCID 86697103

Basic information

Standard SMILES
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Br)ccc(F)c43)ccc21
InChIKey
VSQNITFCEFODMF-PIGZYNQJSA-N
Molecular formula
C20H18BrFO4
Average molar mass
421.3 g/mol
Monoisotopic mass
420.03725

Names & identifiers

Preferred name
{(S)-6-[(R)-4-bromo-7-fluoro-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester
IUPAC
methyl 2-[(3S)-6-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

Names & synonyms

SCHEMBL15262112VSQNITFCEFODMF-PIGZYNQJSA-N[(S)-6-((R)-4-bromo-7-fluoroindan-1-yloxy)-2,3-dihydrobenzo-furan-3-yl]-acetic acid methyl ester[(S)-6-((R)-4-Bromo-7-fluoroindan-1-yloxy)-2,3-dihydrobenzofuran-3-yl]-acetic acid methyl ester{(S)-6-[(R)-4-bromo-7-fluoro-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl esterMethyl 2-((S)-6-((R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate

Database identifiers

PubChem CID
86697103

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
26

Related reactions

86 records

Compound notes

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