Basic information
- Standard SMILES
COc1cc2c(cc1N1C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C1)N(C(C)=O)CC2- InChIKey
KJDXZKINTCBKJL-HDICACEKSA-N- Molecular formula
- C24H31N3O2
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.24162724
Names & identifiers
- Preferred name
- cis-1-Acetyl-6-(4-benzyl-3,5-dimethylpiperazin-1-yl)-5-methoxyindoline
- IUPAC
- 1-[6-[(3R,5S)-4-benzyl-3,5-dimethylpiperazin-1-yl]-5-methoxy-2,3-dihydroindol-1-yl]ethanone
Names & synonyms
SCHEMBL6603845KJDXZKINTCBKJL-HDICACEKSA-Ncis-1-Acetyl-6-(4-benzyl-3,5-dimethylpiperazin-1-yl)-5-methoxyindoline
Database identifiers
- PubChem CID
- 69835917
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 552
Related reactions
2 records
Compound notes
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