Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(Cc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O- InChIKey
BMRRAOSVPWJHCO-UHFFFAOYSA-N- Molecular formula
- C26H27NO6
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.18383758
Names & identifiers
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4-phenoxyphenoxy)phenyl]propanoic acid
Database identifiers
- PubChem CID
- 77271456
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 611
Related reactions
2 records
Compound notes
Loading…