Basic information
- Standard SMILES
COC(=O)CCC(C(N)=O)N1Cc2c(OCc3c(Cl)cc(Cl)cc3Cl)cccc2C1=O- InChIKey
SKWFLFOJGRAZNC-UHFFFAOYSA-N- Molecular formula
- C21H19Cl3N2O5
- Average molar mass
- 485.7 g/mol
Names & identifiers
- Preferred name
- methyl 5-amino-5-oxo-4-[3-oxo-7-[(2,4,6-trichlorophenyl)methoxy]-1H-isoindol-2-yl]pentanoate
- IUPAC
- methyl 5-amino-5-oxo-4-[3-oxo-7-[(2,4,6-trichlorophenyl)methoxy]-1H-isoindol-2-yl]pentanoate
Names & synonyms
SCHEMBL2250112
Database identifiers
- PubChem CID
- 67334262
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 669
Related reactions
2 records
Compound notes
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