4-{2-Carboxy-2-[2-(4-fluoro-phenyl)-ethylsulfanyl]-ethyl}-benzoic acid 2-phenyl-5 trifluoromethyl-oxazol-4-ylmethyl ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(OCc1nc(-c2ccccc2)oc1C(F)(F)F)c1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1- InChIKey
WUBUPXOKXBHNFT-UHFFFAOYSA-N- Molecular formula
- C29H23F4NO5S
- Average molar mass
- 573.6 g/mol
- Monoisotopic mass
- 573.12330666
Names & identifiers
- Preferred name
- 4-{2-Carboxy-2-[2-(4-fluoro-phenyl)-ethylsulfanyl]-ethyl}-benzoic acid 2-phenyl-5 trifluoromethyl-oxazol-4-ylmethyl ester
- IUPAC
- 2-[2-(4-fluorophenyl)ethylsulfanyl]-3-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methoxycarbonyl]phenyl]propanoic acid
Names & synonyms
4-{2-Carboxy-2-[2-(4-fluoro-phenyl)-ethylsulfanyl]-ethyl}-benzoic acid 2-phenyl-5 trifluoromethyl-oxazol-4-ylmethyl esterSCHEMBL980026CHEMBL3959364BDBM190474US9181181, 12
Database identifiers
- PubChem CID
- 66865367
- ChEMBL
CHEMBL3959364
Properties
Computed structural propertiesFilling in
- XLogP
- 6.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 811
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…