methyl 4-(1H-indol-5-yl)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]thiophene-2-carboxylate

HCID 68836699
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Basic information

Standard SMILES
COC(=O)c1scc(-c2ccc3[nH]ccc3c2)c1OCC(=O)OC(C)(C)C
InChIKey
YRZURYJZWYRTIT-UHFFFAOYSA-N
Molecular formula
C20H21NO5S
Average molar mass
387.5 g/mol
Monoisotopic mass
387.11404394

Names & identifiers

Preferred name
methyl 4-(1H-indol-5-yl)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]thiophene-2-carboxylate
IUPAC
methyl 4-(1H-indol-5-yl)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]thiophene-2-carboxylate

Names & synonyms

SCHEMBL3913004

Database identifiers

PubChem CID
68836699

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
106 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
27

Related reactions

1 records
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Compound notes

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