1-Benzyl-3-(3-methoxyphenyl)-2-azepanone
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Basic information
- Standard SMILES
COc1cccc(C2CCCCN(Cc3ccccc3)C2=O)c1- InChIKey
QZRSVTPGZZWPED-UHFFFAOYSA-N- Molecular formula
- C20H23NO2
- Average molar mass
- 309.4 g/mol
Names & identifiers
- Preferred name
- 1-Benzyl-3-(3-methoxyphenyl)-2-azepanone
- IUPAC
- 1-benzyl-3-(3-methoxyphenyl)azepan-2-one
Names & synonyms
SCHEMBL11382882QZRSVTPGZZWPED-UHFFFAOYSA-N1-benzyl-3-(3-methoxyphenyl)-2-azepanone1-Benzylhexahydro-3-(3-methoxyphenyl)2H-azepin-2-one
Database identifiers
- PubChem CID
- 20565337
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
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Related reactions
1 records
Compound notes
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