Basic information
- Standard SMILES
CCOC(=O)C(Cc1ccc(OCCc2nc(-c3ccc4c(c3)OCO4)sc2C)c(F)c1)OCC- InChIKey
OECFBVCFWFCOPW-UHFFFAOYSA-N- Molecular formula
- C26H28FNO6S
- Average molar mass
- 501.6 g/mol
Names & identifiers
- Preferred name
- [Rac]-3-{4-[2-(2-benzo[1,3]dioxol-5-yl-5-methyl-thiazol-4-yl)-ethoxy]-3-fluoro-phenyl)-2-ethoxy-propionic acid ethyl ester
- IUPAC
- ethyl 3-[4-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-4-yl]ethoxy]-3-fluorophenyl]-2-ethoxypropanoate
Names & synonyms
[rac]-3-{4-[2-(2-benzo[1,3]dioxol-5-yl-5-methyl-thiazol-4-yl)-ethoxy]-3-fluoro-phenyl)-2-ethoxy-propionic acid ethyl ester[rac]-3-{4-[2-(2-benzo[1,3]dioxol-5-yl-5-methyl-thiazol-4-yl)-ethoxy]-3-fluoro-phenyl}-2-ethoxy-propionic acid ethyl esterSCHEMBL3370275OECFBVCFWFCOPW-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 68616319
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 674
Related reactions
1 records
Compound notes
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