1-(2-Phenyl-6H,12H-5-oxa-11-aza-dibenzo[a,e]cycloocten-11-yl)-ethanone
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Basic information
- Standard SMILES
CC(=O)N1Cc2cc(-c3ccccc3)ccc2OCc2ccccc21- InChIKey
KAPYAWXZCWPHPS-UHFFFAOYSA-N- Molecular formula
- C22H19NO2
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.14157885
Names & identifiers
- Preferred name
- 1-(2-Phenyl-6H,12H-5-oxa-11-aza-dibenzo[a,e]cycloocten-11-yl)-ethanone
- IUPAC
- 1-(2-phenyl-6,12-dihydrobenzo[c][1,5]benzoxazocin-11-yl)ethanone
Names & synonyms
SCHEMBL4217720KAPYAWXZCWPHPS-UHFFFAOYSA-N1-(2-Phenyl-6H,12H-5-oxa-11-aza-dibenzo[a,e]cycloocten-11-yl)-ethanone
Database identifiers
- PubChem CID
- 11616879
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 459
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Related reactions
2 records
Compound notes
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