Basic information
- CAS
5103-83-3- Standard SMILES
CC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cs1- InChIKey
JPXLSGGBCLFIIJ-UHFFFAOYSA-N- Molecular formula
- C15H11NO3S
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.04596439
Names & identifiers
- Preferred name
- 2-[(5-Acetylthiophen-3-yl)methyl]-1h-isoindole-1,3(2h)-dione
- IUPAC
- 2-[(5-acetylthiophen-3-yl)methyl]isoindole-1,3-dione
Names & synonyms
5103-83-32-[(5-acetyl-3-thienyl)methyl]-1H-isoindole-1,3(2H)-dione2-[(5-acetylthiophen-3-yl)methyl]-1h-isoindole-1,3(2h)-dioneCBMicro_036178MLS000052972CHEMBL1480486DTXSID30965310HMS2353F09SDCCGMLS-0034995.P002SMR000068929BIM-0036233.P001SR-01000513063
Show more names
SR-01000513063-1
Database identifiers
- CAS
5103-83-3- PubChem CID
- 778779
- DTXSID
DTXSID30965310- ChEMBL
CHEMBL1480486
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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