Basic information
- Standard SMILES
COc1ncc(F)cc1-c1cc(/C=C/c2ccc(NS(=O)(=O)CC(F)(F)F)cn2)c(OC)c(C(C)(C)C)c1- InChIKey
VCKRJMXCBHNIRK-VOTSOKGWSA-N- Molecular formula
- C26H27F4N3O4S
- Average molar mass
- 553.6 g/mol
Names & identifiers
- Preferred name
- 2,2,2-trifluoro-ethanesulfonic acid (6-{(E)-2-[3-tert-butyl-5-(5-fluoro-2-methoxy-pyridin-3-yl)-2-methoxy-phenyl]-vinyl}-pyridin-3-yl)-amide
- IUPAC
- N-[6-[(E)-2-[3-tert-butyl-5-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethenyl]-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide
Names & synonyms
2,2,2-trifluoro-ethanesulfonic acid (6-{(E)-2-[3-tert-butyl-5-(5-fluoro-2-methoxy-pyridin-3-yl)-2-methoxy-phenyl]-vinyl}-pyridin-3-yl)-amideSCHEMBL2129557
Database identifiers
- PubChem CID
- 67287243
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 890
Related reactions
1 records
Compound notes
Loading…