Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)cc1- InChIKey
YIZNEXNNUZRSHG-UHFFFAOYSA-N- Molecular formula
- C29H22FN3O4S3
- Average molar mass
- 591.7 g/mol
Names & identifiers
- Preferred name
- N-(3-Fluoro-4-(2-(4-(methylsulfonyl)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
- IUPAC
- N-[[3-fluoro-4-[2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide
Names & synonyms
SCHEMBL3563913YIZNEXNNUZRSHG-UHFFFAOYSA-NN-(3-Fluoro-4-(2-(4-(methylsulfonyl)phenyl)thieno[3,2-b]pyridin-7-yloxy) phenylcarbamothioyl)-2-phenylacetamideN-(3-Fluoro-4-(2-(4-(methylsulfonyl)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
Database identifiers
- PubChem CID
- 58772875
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 981
Related reactions
34 records
Compound notes
Loading…