Basic information
- CAS
633322-49-3- Standard SMILES
COc1ccc(CN2CCN(CC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1Cl- InChIKey
HLVZABPHOUIZPU-UHFFFAOYSA-N- Molecular formula
- C26H27ClN2O2
- Average molar mass
- 435 g/mol
- Monoisotopic mass
- 434.1761058
Names & identifiers
- Preferred name
- 1-(1,1'-Biphenyl)-4-YL-2-(4-(3-chloro-4-methoxybenzyl)-1-piperazinyl)ethanone
- IUPAC
- 2-[4-[(3-chloro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)ethanone
Names & synonyms
AKOS0244088591-(1,1'-BIPHENYL)-4-YL-2-(4-(3-CHLORO-4-METHOXYBENZYL)-1-PIPERAZINYL)ETHANONE
Database identifiers
- CAS
633322-49-3- PubChem CID
- 3563166
- EC Number
- 126-484-4
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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