1-(6-Nitro-2,3-dihydroindol-1-yl)octadecan-1-one
Basic information
- CAS
5479-59-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21- InChIKey
UIRXWMAIRZKKKW-UHFFFAOYSA-N- Molecular formula
- C26H42N2O3
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.31954321
Names & identifiers
- Preferred name
- 1-(6-Nitro-2,3-dihydroindol-1-yl)octadecan-1-one
- IUPAC
- 1-(6-nitro-2,3-dihydroindol-1-yl)octadecan-1-one
Names & synonyms
1-(6-nitro-2,3-dihydroindol-1-yl)octadecan-1-one5479-59-46-nitro-1-stearoylindolineDTXSID303859181-(6-Nitro-2,3-dihydro-1H-indol-1-yl)octadecan-1-one
Database identifiers
- CAS
5479-59-4- PubChem CID
- 2848451
- DTXSID
DTXSID30385918
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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