3-(4-Acetylamino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(3-cyclopropylmethoxy-4-difluoromethoxy-phenyl)-propionic acid

HCID 9848337

Basic information

Standard SMILES
CC(=O)Nc1cccc2c1C(=O)N(C(CC(=O)O)c1ccc(OC(F)F)c(OCC3CC3)c1)C2=O
InChIKey
CGSYCSBNONPYAH-UHFFFAOYSA-N
Molecular formula
C24H22F2N2O7
Average molar mass
488.4 g/mol
Monoisotopic mass
488.13950737

Names & identifiers

Preferred name
3-(4-Acetylamino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(3-cyclopropylmethoxy-4-difluoromethoxy-phenyl)-propionic acid
IUPAC
3-(4-acetamido-1,3-dioxoisoindol-2-yl)-3-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]propanoic acid

Names & synonyms

3-(4-acetylamino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(3-cyclopropylmethoxy-4-difluoromethoxy-phenyl)-propionic acidSCHEMBL11435603-(4-acetylamino-1,3-dioxo-1,3-dihydro -isoindol-2-yl)-3-(3-cyclopropylmethoxy-4-difluoromethoxy-phenyl)-propionic acid

Database identifiers

PubChem CID
9848337

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
122 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
35

Related reactions

13 records

Compound notes

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