Basic information
- Standard SMILES
CCn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5)cc4F)c3s2)c1- InChIKey
GISPLDIRXLZCTB-UHFFFAOYSA-N- Molecular formula
- C27H22FN5O3S
- Average molar mass
- 515.6 g/mol
- Monoisotopic mass
- 515.14273892
Names & identifiers
- Preferred name
- N1-(4-(2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-phenylmalonamide
- IUPAC
- N'-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-phenylpropanediamide
Names & synonyms
SCHEMBL307088GISPLDIRXLZCTB-UHFFFAOYSA-NN1-(4-(2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-phenylmalonamide
Database identifiers
- PubChem CID
- 56953451
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 787
Related reactions
5 records
Compound notes
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