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
- Formal charge
- 0
- Complexity
- 837
Related reactions
13 records
Compound notes
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