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6-[2-(dimethylamino)ethoxy]-1'-(oxolan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

HCID 75110100
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)CCOc1ccc2c(c1)OCC21C(=O)N(CC2CCCO2)c2ccccc21
InChIKey
YYFPRTBGUPWSDS-UHFFFAOYSA-N
Molecular formula
C24H28N2O4
Average molar mass
408.5 g/mol
Monoisotopic mass
408.20490738

Names & identifiers

Preferred name
6-[2-(dimethylamino)ethoxy]-1'-(oxolan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
IUPAC
6-[2-(dimethylamino)ethoxy]-1'-(oxolan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

Database identifiers

PubChem CID
75110100

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
51.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Formal charge
0
Complexity
628

Related reactions

1 records
New reaction record
HRID 149490 reaction equation
HRID 149490As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes