Basic information
- Standard SMILES
CC1(C)Cc2c(Oc3ccc(C(=O)N4CCC4)cc3)cc(C(=O)O)cc2O1- InChIKey
POTZQXNKYRKPFN-UHFFFAOYSA-N- Molecular formula
- C21H21NO5
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.14197277
Names & identifiers
- Preferred name
- 4-[4-(Azetidine-1-carbonyl)-phenoxy]-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid
- IUPAC
- 4-[4-(azetidine-1-carbonyl)phenoxy]-2,2-dimethyl-3H-1-benzofuran-6-carboxylic acid
Names & synonyms
SCHEMBL643904POTZQXNKYRKPFN-UHFFFAOYSA-N4-[4-(azetidine-1-carbonyl)-phenoxy]-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid
Database identifiers
- PubChem CID
- 59559846
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 579
Related reactions
6 records
Compound notes
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