Basic information
- Standard SMILES
CC(=O)N1CCc2cc(OCC3=CCC4(CC3)OCCO4)c(Br)cc21- InChIKey
QWDMZMOJAJGUQF-UHFFFAOYSA-N- Molecular formula
- C19H22BrNO4
- Average molar mass
- 408.3 g/mol
- Monoisotopic mass
- 407.07322
Names & identifiers
- Preferred name
- 1-Acetyl-6-bromo-2,3-dihydro-5-(1,4-dioxaspiro[4,5]dec-7-en-8-yl)methoxy-1H-indole
- IUPAC
- 1-[6-bromo-5-(1,4-dioxaspiro[4.5]dec-7-en-8-ylmethoxy)-2,3-dihydroindol-1-yl]ethanone
Names & synonyms
SCHEMBL8401867QWDMZMOJAJGUQF-UHFFFAOYSA-N1-Acetyl-6-bromo-2,3-dihydro-5-(1,4-dioxaspiro[4,5]dec-7-en-8-yl)methoxy-1H-indole
Database identifiers
- PubChem CID
- 21834551
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 546
Related reactions
2 records
Compound notes
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