5-(3-Benzoylbenzoyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
Basic information
- Standard SMILES
O=C(c1ccccc1)c1cccc(C(=O)N2CCc3occc3C2)c1- InChIKey
RWXJRYPDPDXKKX-UHFFFAOYSA-N- Molecular formula
- C21H17NO3
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.1208434
Names & identifiers
- Preferred name
- 5-(3-Benzoylbenzoyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
- IUPAC
- [3-(6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl)phenyl]-phenylmethanone
Names & synonyms
SCHEMBL8434932RWXJRYPDPDXKKX-UHFFFAOYSA-N5-(3-benzoylbenzoyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
Database identifiers
- PubChem CID
- 19600167
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 499
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Related reactions
2 records
Compound notes
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