Basic information
- CAS
3879-43-4- Standard SMILES
Cc1ccc(N2C(=O)c3ccccc3C2(c2ccccc2)N2CCN(C)CC2)cc1- InChIKey
WIPWCQKJXLXEGJ-UHFFFAOYSA-N- Molecular formula
- C26H27N3O
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.21541249
Names & identifiers
- Preferred name
- 3-(4-Methylpiperazin-1-yl)-3-phenyl-2-p-tolylisoindolin-1-one
- IUPAC
- 2-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylisoindol-1-one
Names & synonyms
3879-43-4NSC673313-(4-methylpiperazin-1-yl)-3-phenyl-2-p-tolylisoindolin-1-oneDTXSID90328907NSC-673312-(4-Methylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenyl-2,3-dihydro-1H-isoindol-1-one
Database identifiers
- CAS
3879-43-4- PubChem CID
- 415155
- DTXSID
DTXSID90328907
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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