Basic information
- Standard SMILES
CCC(=CC(=O)c1ccccc1)NC(Cc1ccc(OCCc2nc(-c3ccc(F)cc3)oc2C)cc1)C(=O)O- InChIKey
PULSYZRPJNPKOR-UHFFFAOYSA-N- Molecular formula
- C32H31FN2O5
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.22170026
Names & identifiers
- IUPAC
- 3-[4-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-[(1-oxo-1-phenylpent-2-en-3-yl)amino]propanoic acid
Database identifiers
- PubChem CID
- 77726248
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 831
Related reactions
1 records
Compound notes
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