Basic information
- Standard SMILES
O=C1c2ccccc2COc2ccc(CCN3CCN(c4ccccc4)CC3)cc21- InChIKey
WQPWVRZNCLPSGB-UHFFFAOYSA-N- Molecular formula
- C26H26N2O2
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.19942808
Names & identifiers
- Preferred name
- 1-[2-(6,11-Dihydro-11-oxodibenz[b,e]oxepin-2-yl)ethyl]-4-phenylpiperazine
- IUPAC
- 2-[2-(4-phenylpiperazin-1-yl)ethyl]-6H-benzo[c][1]benzoxepin-11-one
Names & synonyms
SCHEMBL10373517WQPWVRZNCLPSGB-UHFFFAOYSA-N1-[2-(6,11-Dihydro-11-oxodibenz[b,e]oxepin-2-yl)ethyl]-4-phenylpiperazine
Database identifiers
- PubChem CID
- 13477117
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 567
Related reactions
2 records
Compound notes
Loading…