Basic information
- Standard SMILES
CCOC(=O)C(Cc1ccc(OCCc2nc(-c3ccccc3)sc2C)cc1C)OCC- InChIKey
TXGNZWDBORSICU-UHFFFAOYSA-N- Molecular formula
- C26H31NO4S
- Average molar mass
- 453.6 g/mol
- Monoisotopic mass
- 453.19737964
Names & identifiers
- Preferred name
- [Rac]-2-ethoxy-3-{2-methyl-4-[2-(5-methyl-2-phenyl-thiazol-4-yl)-ethoxy]-phenyl]-propionic acid ethyl ester
- IUPAC
- ethyl 2-ethoxy-3-[2-methyl-4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoate
Names & synonyms
[rac]-2-ethoxy-3-{2-methyl-4-[2-(5-methyl-2-phenyl-thiazol-4-yl)-ethoxy]-phenyl]-propionic acid ethyl ester[rac]-2-ethoxy-3-{2-methyl-4-[2-(5-methyl-2-phenyl-thiazol-4-yl)-ethoxy]-phenyl}-propionic acid ethyl esterSCHEMBL3371081TXGNZWDBORSICU-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 68616609
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 556
Related reactions
2 records
Compound notes
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