Basic information
- Standard SMILES
O=C(NC1(c2nccs2)COC1)c1ccc(C2CC2)c(OCC(F)(F)F)n1- InChIKey
IMJIAUTWMGSJIR-UHFFFAOYSA-N- Molecular formula
- C17H16F3N3O3S
- Average molar mass
- 399.4 g/mol
Names & identifiers
- Preferred name
- 5-Cyclopropyl-6-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid (3-thiazol-2-yl-oxetan-3-yl)-amide
- IUPAC
- 5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
Names & synonyms
5-Cyclopropyl-6-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid (3-thiazol-2-yl-oxetan-3-yl)-amideCHEMBL3976333SCHEMBL14241007BDBM210618US9290451, 304
Database identifiers
- PubChem CID
- 71113181
- ChEMBL
CHEMBL3976333
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 557
Related reactions
3 records
Linked notes
Loading…