2-[(2,5,9-Trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]isoindole-1,3-dione
Basic information
- CAS
62442-58-4- Standard SMILES
Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CN1C(=O)c2ccccc2C1=O- InChIKey
VCEVTFJTMXLVMG-UHFFFAOYSA-N- Molecular formula
- C23H17NO5
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.11067264
Names & identifiers
- Preferred name
- 2-[(2,5,9-Trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]isoindole-1,3-dione
- IUPAC
- 2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]isoindole-1,3-dione
Names & synonyms
62442-58-4NSC2918352-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]isoindole-1,3-dioneSCHEMBL4958027DTXSID10315076NSC-2918352-[(2,5,9-Trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-3-yl)methyl]-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
62442-58-4- PubChem CID
- 324873
- DTXSID
DTXSID10315076
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 751
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Compound notes
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