ST002948
Basic information
- CAS
5161-31-9- Standard SMILES
COc1ccccc1N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccccc3OC)C4=O)cc2C1=O- InChIKey
MADDMXXADWRECX-UHFFFAOYSA-N- Molecular formula
- C31H20N2O7
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 532.12705098
Names & identifiers
- Preferred name
- ST002948
- IUPAC
- 2-(2-methoxyphenyl)-5-[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
Names & synonyms
5161-31-9ST002948DTXSID40359685RefChem:381266DTXCID603107385,5'-carbonylbis[2-(2-methoxyphenyl)-1H-isoindole-1,3(2H)-dione]CBMicro_047714CHEMBL411866SCHEMBL179510215,5'-CARBONYLBIS(2-(2-METHOXYPHENYL)ISOINDOLINE-1,3-DIONE)STK248740AKOS000733053
Show more names
BIM-0047951.P001AG-205/33006045SR-01000392972SR-01000392972-12-(2-methoxyphenyl)-5-{[2-(2-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-1H-isoindole-1,3(2H)-dione2-(2-methoxyphenyl)-5-{[2-(2-methoxyphenyl)-1,3-dioxobenzo[c]azolidin-5-yl]car bonyl}benzo[c]azolidine-1,3-dione
Database identifiers
- CAS
5161-31-9- PubChem CID
- 983544
- DTXSID
DTXSID40359685- ChEMBL
CHEMBL411866
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 980
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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