Basic information
- Standard SMILES
COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCNCC4)c3C2=O)cc1OC- InChIKey
UWBKABDDTOPLAQ-OAQYLSRUSA-N- Molecular formula
- C28H32N4O6S2
- Average molar mass
- 584.7 g/mol
Names & identifiers
- Preferred name
- (R)-N-(4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(piperazin-1-yl)isoindolin-2-yl)butyl)thiophene-2-sulfonamide
- IUPAC
- N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-piperazin-1-ylisoindol-2-yl)butyl]thiophene-2-sulfonamide
Names & synonyms
CHEMBL566366SCHEMBL1472785UWBKABDDTOPLAQ-OAQYLSRUSA-NBDBM50302247(R)-N-(4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(piperazin-1-yl)isoindolin-2-yl)butyl)thiophene-2-sulfonamide(r)-thiophene-2-sulfonic acid [4-(3,4-dimethoxy-phenyl)-4-(1,3-dioxo-4-piperazin-1-yl-1,3-dihydro-isoindol-2-yl)-butyl]-amide
Database identifiers
- PubChem CID
- 44596869
- ChEMBL
CHEMBL566366
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 988
Related reactions
6 records
Compound notes
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