Basic information
- Standard SMILES
CCOC(=O)C(Cc1ccc(OCCc2nc(-c3ccc(C(C)(C)C)cc3)sc2C)c(F)c1)OCC- InChIKey
JBZUGGSIPLUXSM-UHFFFAOYSA-N- Molecular formula
- C29H36FNO4S
- Average molar mass
- 513.7 g/mol
Names & identifiers
- Preferred name
- [Rac]-3-(4-{2-[2-(4-tert-butyl-phenyl)-5-methyl-thiazol-4-yl]-ethoxy}-3-fluoro-phenyl)-2-ethoxy-propionic acid ethyl ester
- IUPAC
- ethyl 3-[4-[2-[2-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-4-yl]ethoxy]-3-fluorophenyl]-2-ethoxypropanoate
Names & synonyms
SCHEMBL3370714JBZUGGSIPLUXSM-UHFFFAOYSA-N[rac]-3-(4-{2-[2-(4-tert-butyl-phenyl)-5-methyl-thiazol-4-yl]-ethoxy}-3-fluoro-phenyl)-2-ethoxy-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 68616485
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 666
Related reactions
1 records
Compound notes
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