Basic information
- Standard SMILES
O=C(Nc1cnccc1C(=O)O)OCc1cc2cc(-c3ccccc3)ccc2o1- InChIKey
MAACZEKPZUBPNC-UHFFFAOYSA-N- Molecular formula
- C22H16N2O5
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.10592162
Names & identifiers
- Preferred name
- 3-(5-Phenyl-benzofuran-2-ylmethoxycarbonylamino)-isonicotinic acid
- IUPAC
- 3-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]pyridine-4-carboxylic acid
Names & synonyms
SCHEMBL5774221MAACZEKPZUBPNC-UHFFFAOYSA-N3-(5-phenyl-benzofuran-2-ylmethoxycarbonylamino)-isonicotinic acid
Database identifiers
- PubChem CID
- 10134853
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 580
Related reactions
2 records
Compound notes
Loading…