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Benzyl 3-[8-[(2,3-difluorophenyl)methoxy]octanoylamino]-4-(dimethylamino)butanoate

HCID 66874233
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)CC(CC(=O)OCc1ccccc1)NC(=O)CCCCCCCOCc1cccc(F)c1F
InChIKey
BKBPJVJQQUXPFQ-UHFFFAOYSA-N
Molecular formula
C28H38F2N2O4
Average molar mass
504.6 g/mol

Names & identifiers

Preferred name
Benzyl 3-[8-[(2,3-difluorophenyl)methoxy]octanoylamino]-4-(dimethylamino)butanoate
IUPAC
benzyl 3-[8-[(2,3-difluorophenyl)methoxy]octanoylamino]-4-(dimethylamino)butanoate

Names & synonyms

SCHEMBL1005868

Database identifiers

PubChem CID
66874233

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
67.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
18
Heavy atoms
36
Formal charge
0
Complexity
616

Related reactions

1 records
New reaction record
HRID 193345 reaction equation
HRID 193345As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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