Basic information
- Standard SMILES
CC(=O)N1CCc2ccc(N3C[C@@H](C)N(Cc4ccccc4)[C@@H](C)C3)cc21- InChIKey
CFTDQNMERKGHFB-HDICACEKSA-N- Molecular formula
- C23H29N3O
- Average molar mass
- 363.5 g/mol
Names & identifiers
- Preferred name
- cis-1-Acetyl-6-(4-benzyl-3,5-dimethylpiperazin-1-yl)indoline
- IUPAC
- 1-[6-[(3R,5S)-4-benzyl-3,5-dimethylpiperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone
Names & synonyms
SCHEMBL6608179CFTDQNMERKGHFB-HDICACEKSA-Ncis-1-Acetyl-6-(4-benzyl-3,5-dimethylpiperazin-1-yl)indoline
Database identifiers
- PubChem CID
- 69837643
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Related reactions
1 records
Compound notes
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