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(4-Phenoxyphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

HCID 59012018
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Basic information

Standard SMILES
O=C(c1ccc(Oc2ccccc2)cc1)N1CCC(N2CCCC2)C1
InChIKey
SQKQXYJHTKDETF-UHFFFAOYSA-N
Molecular formula
C21H24N2O2
Average molar mass
336.4 g/mol

Names & identifiers

Preferred name
(4-Phenoxyphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
IUPAC
(4-phenoxyphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

Names & synonyms

SCHEMBL3841287

Database identifiers

PubChem CID
59012018

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
435

Related reactions

1 records
New reaction record
HRID 192305 reaction equation
HRID 192305As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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