Basic information
- Standard SMILES
CC(C)Sc1cccc(COc2ccc(CC(C)C(=O)O)cc2Cl)n1- InChIKey
SSIOMZCIBRHSKC-UHFFFAOYSA-N- Molecular formula
- C19H22ClNO3S
- Average molar mass
- 379.9 g/mol
Names & identifiers
- Preferred name
- 3-[3-Chloro-4-(6-isopropylsulfanyl-pyridin-2-ylmethoxy)-phenyl]-2-methyl-propionic acid
- IUPAC
- 3-[3-chloro-4-[(6-propan-2-ylsulfanyl-2-pyridinyl)methoxy]phenyl]-2-methylpropanoic acid
Names & synonyms
SCHEMBL15668707SSIOMZCIBRHSKC-UHFFFAOYSA-N3-[3-chloro-4-(6-isopropylsulfanyl-pyridin-2-ylmethoxy)-phenyl]-2-methyl-propionic acid
Database identifiers
- PubChem CID
- 74222971
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 423
Related reactions
1 records
Compound notes
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