2-[1-(3-Cyclopentyloxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindoline-1,3-dione
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Basic information
- Standard SMILES
COc1ccc(C(CS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1OC1CCCC1- InChIKey
JJVMWANXAMHGPS-UHFFFAOYSA-N- Molecular formula
- C23H25NO6S
- Average molar mass
- 443.5 g/mol
Names & identifiers
- Preferred name
- 2-[1-(3-Cyclopentyloxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindoline-1,3-dione
- IUPAC
- 2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione
Names & synonyms
CHEMBL475164SCHEMBL1193446JJVMWANXAMHGPS-UHFFFAOYSA-N2-[1-(3-Cyclopentyloxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindoline-1,3-dione
Database identifiers
- PubChem CID
- 9846249
- ChEMBL
CHEMBL475164
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 747
Related reactions
3 records
Compound notes
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