Piperazine, 1-(chlorodibenz(b,f)oxepin-10-yl)-4-((4-methoxyphenyl)methyl)-
Basic information
- CAS
56958-37-3- Standard SMILES
COc1ccc(CN2CCN(C3=C(Cl)c4ccccc4Oc4ccccc43)CC2)cc1- InChIKey
POIYXMPEELDCSG-UHFFFAOYSA-N- Molecular formula
- C26H25ClN2O2
- Average molar mass
- 432.9 g/mol
- Monoisotopic mass
- 432.1604557
Names & identifiers
- Preferred name
- Piperazine, 1-(chlorodibenz(b,f)oxepin-10-yl)-4-((4-methoxyphenyl)methyl)-
- IUPAC
- 1-(5-chlorobenzo[b][1]benzoxepin-6-yl)-4-[(4-methoxyphenyl)methyl]piperazine
Names & synonyms
RMI 61403Piperazine, 1-(chlorodibenz(b,f)oxepin-10-yl)-4-((4-methoxyphenyl)methyl)-56958-37-3DTXSID902055071-(Chlorodibenz(b,f)oxepin-10-yl)-4-((4-methoxyphenyl)methyl)piperazineRefChem:372463DTXCID501279981-(11-Chlorodibenzo[b,f]oxepin-10-yl)-4-[(4-methoxyphenyl)methyl]piperazine
Database identifiers
- CAS
56958-37-3- PubChem CID
- 3044243
- DTXSID
DTXSID90205507
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…