Basic information
- Standard SMILES
CCCSc1ncccc1COc1c(F)cc(CCC(=O)OCC)cc1F- InChIKey
XPZJICQZUDYVDQ-UHFFFAOYSA-N- Molecular formula
- C20H23F2NO3S
- Average molar mass
- 395.5 g/mol
Names & identifiers
- Preferred name
- 3-[3,5-Difluoro-4-(2-propylsulfanyl-pyridin-3-ylmethoxy)-phenyl]-propionic acid ethyl ester
- IUPAC
- ethyl 3-[3,5-difluoro-4-[(2-propylsulfanyl-3-pyridinyl)methoxy]phenyl]propanoate
Names & synonyms
SCHEMBL15668839XPZJICQZUDYVDQ-UHFFFAOYSA-N3-[3,5-difluoro-4-(2-propylsulfanyl-pyridin-3-ylmethoxy)-phenyl]-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 90118136
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 431
Related reactions
1 records
Compound notes
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