Basic information
- Standard SMILES
COC(=O)CCc1ccc(NC(=O)c2cc3cc(C#N)ccc3o2)cc1- InChIKey
MPKPINFAYRAUTF-UHFFFAOYSA-N- Molecular formula
- C20H16N2O4
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-[4-[(5-cyano-2-benzofuranyl)carbonylamino]phenyl]propionate
- IUPAC
- methyl 3-[4-[(5-cyano-1-benzofuran-2-carbonyl)amino]phenyl]propanoate
Names & synonyms
SCHEMBL8713054MPKPINFAYRAUTF-UHFFFAOYSA-Nmethyl 3-[4-[(5-cyano-2-benzofuranyl)carbonylamino]phenyl]propionate
Database identifiers
- PubChem CID
- 10497906
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 561
Related reactions
3 records
Compound notes
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