Basic information
- Standard SMILES
Cc1cc(Sc2cc(C#Cc3ccc(CO)cc3)cc(OCCc3ccc(Cl)cc3)c2)ccc1OCC(=O)O- InChIKey
FUAWTZXKTNCTDR-UHFFFAOYSA-N- Molecular formula
- C32H27ClO5S
- Average molar mass
- 559.1 g/mol
- Monoisotopic mass
- 558.1267728
Names & identifiers
- Preferred name
- {4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)phenylsulfanyl]-2-methyl-phenoxy}-acetic Acid
- IUPAC
- 2-[4-[3-[2-(4-chlorophenyl)ethoxy]-5-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]sulfanyl-2-methylphenoxy]acetic acid
Names & synonyms
SCHEMBL1810881FUAWTZXKTNCTDR-UHFFFAOYSA-N{4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methyl-phenoxy}-acetic acid{4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)phenylsulfanyl]-2-methyl-phenoxy}-acetic Acid
Database identifiers
- PubChem CID
- 16034864
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 810
Related reactions
4 records
Compound notes
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