1,3-Indandione, 2-phenyl-2-(2-(4-phenyl-1-piperazinyl)ethyl)-
Basic information
- CAS
21662-80-6- Standard SMILES
O=C1c2ccccc2C(=O)C1(CCN1CCN(c2ccccc2)CC1)c1ccccc1- InChIKey
IKORCBCOANHNMJ-UHFFFAOYSA-N- Molecular formula
- C27H26N2O2
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.19942808
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-phenyl-2-(2-(4-phenyl-1-piperazinyl)ethyl)-
- IUPAC
- 2-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]indene-1,3-dione
Names & synonyms
2-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]-1h-indene-1,3(2h)-dione1,3-Indandione, 2-phenyl-2-(2-(4-phenyl-1-piperazinyl)ethyl)-21662-80-6BRN 0855912DTXSID501760472-(2-(4-Phenyl-1-piperazinyl)ethyl)-2-phenyl-indandione-1,3
Database identifiers
- CAS
21662-80-6- PubChem CID
- 210800
- DTXSID
DTXSID50176047
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 618
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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