3-(4-{[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
Basic information
- CAS
875337-45-4- Standard SMILES
CCn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1- InChIKey
OWHNQRWVPROBIY-UHFFFAOYSA-N- Molecular formula
- C27H22FN5O2S2
- Average molar mass
- 531.6 g/mol
- Monoisotopic mass
- 531.11989547
Names & identifiers
- Preferred name
- 3-(4-{[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
- IUPAC
- N-[[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-phenylacetamide
Names & synonyms
CHEMBL258453SCHEMBL3570921BDBM24499DTXSID401105677875337-45-4thieno[3,2-b]pyridine-based inhibitor, 10b3-(4-{[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thioureaN-[[[4-[[2-(1-Ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy]-3-fluorophenyl]amino]thioxomethyl]benzeneacetamide
Database identifiers
- CAS
875337-45-4- PubChem CID
- 24901705
- DTXSID
DTXSID401105677- ChEMBL
CHEMBL258453
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 788
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…