Basic information
- Standard SMILES
O=C(c1ccccc1)c1ccc(C(=O)N2CCc3ccoc3CC2)cc1- InChIKey
CFVSRTOABBWAQF-UHFFFAOYSA-N- Molecular formula
- C22H19NO3
- Average molar mass
- 345.4 g/mol
Names & identifiers
- Preferred name
- 6-(4-benzoylbenzoyl)-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine
- IUPAC
- phenyl-[4-(4,5,7,8-tetrahydrofuro[2,3-d]azepine-6-carbonyl)phenyl]methanone
Names & synonyms
SCHEMBL8439332CFVSRTOABBWAQF-UHFFFAOYSA-N6-(4-benzoylbenzoyl)-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine
Database identifiers
- PubChem CID
- 19600153
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 506
Related reactions
2 records
Compound notes
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