Basic information
- Standard SMILES
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5)cc4F)c3s2)c1- InChIKey
QVLIPUSWOSVZPQ-UHFFFAOYSA-N- Molecular formula
- C26H20FN5O3S
- Average molar mass
- 501.5 g/mol
- Monoisotopic mass
- 501.12708885
Names & identifiers
- Preferred name
- N1-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N3-phenylmalonamide
- IUPAC
- N'-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-phenylpropanediamide
Names & synonyms
CHEMBL464510N1-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N3-phenylmalonamideSCHEMBL306290QVLIPUSWOSVZPQ-UHFFFAOYSA-NBDBM50248556
Database identifiers
- PubChem CID
- 44565164
- ChEMBL
CHEMBL464510
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 772
Related reactions
8 records
Compound notes
Loading…