Basic information
- CAS
929867-16-3- Standard SMILES
CC1CCC[NH+](Cc2c([O-])ccc3c2OC(=Cc2cc4ccccc4o2)C3=O)C1- InChIKey
AKGDYBVHNXMFTN-UHFFFAOYSA-N- Molecular formula
- C24H23NO4
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.16270821
Names & identifiers
- Preferred name
- 2-(1-Benzofuran-2-ylmethylidene)-7-[(3-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate
- IUPAC
- 2-(1-benzofuran-2-ylmethylidene)-7-[(3-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate
Database identifiers
- CAS
929867-16-3- PubChem CID
- 72166258
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 649
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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