Basic information
- Standard SMILES
CSc1cc(F)ccc1-c1ccc2cc(OS(C)(=O)=O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1- InChIKey
FFXPVZMQEFTNJZ-UHFFFAOYSA-N- Molecular formula
- C32H32FNO5S2
- Average molar mass
- 593.7 g/mol
- Monoisotopic mass
- 593.17059363
Names & identifiers
- Preferred name
- Methanesulfonic acid 6-(4-fluoro-2-methylsulfanyl-phenyl)-5-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-naphthalen-2-yl ester
- IUPAC
- [6-(4-fluoro-2-methylsulfanylphenyl)-5-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl] methanesulfonate
Names & synonyms
SCHEMBL1360038FFXPVZMQEFTNJZ-UHFFFAOYSA-NMethanesulfonic acid 6-(4-fluoro-2-methylsulfanyl-phenyl)-5-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-naphthalen-2-yl ester
Database identifiers
- PubChem CID
- 11238709
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 946
Related reactions
3 records
Compound notes
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