sodium;6-chloro-7-[4-[2-[4-(trifluoromethylsulfanyl)phenyl]ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(NCCc1ccc(SC(F)(F)F)cc1)c1ccc(Oc2cc3c(cc2Cl)C(C(=O)[O-])CCO3)cc1.[Na+]- InChIKey
QJPDTADOWNQHDP-UHFFFAOYSA-M- Molecular formula
- C26H20ClF3NNaO5S
- Average molar mass
- 573.9 g/mol
Names & identifiers
- Preferred name
- sodium;6-chloro-7-[4-[2-[4-(trifluoromethylsulfanyl)phenyl]ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
- IUPAC
- sodium 6-chloro-7-[4-[2-[4-(trifluoromethylsulfanyl)phenyl]ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
Names & synonyms
SCHEMBL1570179sodium;6-chloro-7-[4-[2-[4-(trifluoromethylsulfanyl)phenyl]ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
Database identifiers
- PubChem CID
- 44598935
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 780
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…