Basic information
- Standard SMILES
N#Cc1cc(CC(=O)O)ccc1Oc1ccc(C(=O)NCCc2ccccc2)cc1- InChIKey
BBHSEVSJFHURJU-UHFFFAOYSA-N- Molecular formula
- C24H20N2O4
- Average molar mass
- 400.4 g/mol
Names & identifiers
- Preferred name
- 2-(3-Cyano-4-(4-(phenethylcarbamoyl)phenoxy)phenyl)acetic acid
- IUPAC
- 2-[3-cyano-4-[4-(2-phenylethylcarbamoyl)phenoxy]phenyl]acetic acid
Names & synonyms
SCHEMBL2982716BBHSEVSJFHURJU-UHFFFAOYSA-N2-(3-cyano-4-(4-(phenethylcarbamoyl)phenoxy)phenyl)acetic acid
Database identifiers
- PubChem CID
- 59403203
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 614
Related reactions
3 records
Compound notes
Loading…