Basic information
- Standard SMILES
COc1cc2c(cc1N1C[C@@H](C)N[C@@H](C)C1)N(C(C)=O)CC2- InChIKey
LDQZWVSSIRADGL-TXEJJXNPSA-N- Molecular formula
- C17H25N3O2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.19467705
Names & identifiers
- Preferred name
- cis-1-Acetyl-6-(3,5-dimethylpiperazin-1-yl)-5-methoxyindoline
- IUPAC
- 1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methoxy-2,3-dihydroindol-1-yl]ethanone
Names & synonyms
SCHEMBL6102594LDQZWVSSIRADGL-TXEJJXNPSA-Ncis-1-Acetyl-6-(3,5-dimethylpiperazin-1-yl)-5-methoxyindoline
Database identifiers
- PubChem CID
- 69664906
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Related reactions
3 records
Compound notes
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