Basic information
- Standard SMILES
CCn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5OC)cc4F)c3s2)c1- InChIKey
PAAGWFKHKKVZOL-UHFFFAOYSA-N- Molecular formula
- C28H24FN5O3S2
- Average molar mass
- 561.7 g/mol
Names & identifiers
- Preferred name
- 1-{4-[2-(1-Ethyl-1H-imidazol-4-yl)-thieno[3,2-b]pyridin-7-yloxy]-3-fluoro-phenyl}-3-[2-(2-methoxy-phenyl)-acetyl]-thiourea
- IUPAC
- N-[[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]carbamothioyl]-2-(2-methoxyphenyl)acetamide
Names & synonyms
SCHEMBL3572652PAAGWFKHKKVZOL-UHFFFAOYSA-N1-{4-[2-(1-Ethyl-1H-imidazol-4-yl)-thieno[3,2-b]pyridin-7-yloxy]-3-fluoro-phenyl}-3-[2-(2-methoxy-phenyl)-acetyl]-thiourea1-{4-[2-(1-Ethyl-1H-imidazol-4-yl)-thieno[3,2-b]pyridin-7-yloxy]-3-fluoro-phenyl}-3-[2-(2-methoxy-phenyl)acetyl]-thiourea
Database identifiers
- PubChem CID
- 86604201
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 843
Related reactions
4 records
Compound notes
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