Basic information
- Standard SMILES
CC(C)(C)OC(=O)COc1ccc(NC(=O)c2cc3ccc(C#N)cc3s2)cc1- InChIKey
KSPVKPDIHHNKLM-UHFFFAOYSA-N- Molecular formula
- C22H20N2O4S
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.1143783
Names & identifiers
- Preferred name
- Tert-butyl 2-[4-[(6-cyano-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate
- IUPAC
- tert-butyl 2-[4-[(6-cyano-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate
Names & synonyms
SCHEMBL8712451
Database identifiers
- PubChem CID
- 10692819
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 645
Related reactions
1 records
Compound notes
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