Basic information
- Standard SMILES
CC(C)(C)OC(=O)COc1cccc2c1CCCC2NS(=O)(=O)c1cnc(Oc2ccc(F)cc2Cl)c(Br)c1- InChIKey
OQTJBIZCPNWDJN-UHFFFAOYSA-N- Molecular formula
- C27H27BrClFN2O6S
- Average molar mass
- 641.9 g/mol
- Monoisotopic mass
- 640.04458
Names & identifiers
- Preferred name
- {5-[5-Bromo-6-(2-chloro-4-fluoro-phenoxy)-pyridine-3-sulfonylamino]-5,6,7,8-tetrahydro-naphthalen-1-yloxy}-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetate
Names & synonyms
SCHEMBL1848376OQTJBIZCPNWDJN-UHFFFAOYSA-N{5-[5-bromo-6-(2-chloro-4-fluoro-phenoxy)-pyridine-3-sulfonylamino]-5,6,7,8-tetrahydro-naphthalen-1-yloxy}-acetic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59192570
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 934
Related reactions
2 records
Compound notes
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