ethyl 4-[7-bromo-1-[2-(ethyloxy)-2-oxoethyl]-2-(methylthio)-1H-indol-3-yl]butanoate

HCID 68693460
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CCCc1c(SC)n(CC(=O)OCC)c2c(Br)cccc12
InChIKey
QHIQATRYXAUDPC-UHFFFAOYSA-N
Molecular formula
C19H24BrNO4S
Average molar mass
442.4 g/mol

Names & identifiers

Preferred name
ethyl 4-[7-bromo-1-[2-(ethyloxy)-2-oxoethyl]-2-(methylthio)-1H-indol-3-yl]butanoate
IUPAC
ethyl 4-[7-bromo-1-(2-ethoxy-2-oxoethyl)-2-methylsulfanylindol-3-yl]butanoate

Names & synonyms

SCHEMBL3564687QHIQATRYXAUDPC-UHFFFAOYSA-Nethyl 4-[7-bromo-1-[2-(ethyloxy)-2-oxoethyl]-2-(methylthio)-1H-indol-3-yl]butanoate

Database identifiers

PubChem CID
68693460

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
82.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

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