Basic information
- Standard SMILES
CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)NS(=O)(=O)c3ccc(F)cc3)cc1)C2- InChIKey
YRPJPJYKNGUMJQ-UHFFFAOYSA-N- Molecular formula
- C30H27FN2O6S
- Average molar mass
- 562.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]isoindol-2(3H)-yl)phenyl)-N-((4-fluorophenyl)sulfonyl)acetamide
- IUPAC
- 2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]-N-(4-fluorophenyl)sulfonylacetamide
Names & synonyms
439288-60-52-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]isoindol-2(3H)-yl)phenyl)-N-((4-fluorophenyl)sulfonyl)acetamideSCHEMBL5397220YRPJPJYKNGUMJQ-UHFFFAOYSA-N2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]-N-(4-fluorophenyl)sulfonylacetamideN-{[4-(4,9-diethoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)phenyl]acetyl}-4-fluorobenzenesulfonamide
Database identifiers
- PubChem CID
- 9894082
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 989
Related reactions
2 records
Compound notes
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