Basic information
- Standard SMILES
CCCCCN1C(=O)C(c2cc3c(cc2O)OCO3)c2c(Br)cccc21- InChIKey
JXQYISCRXLWTIT-UHFFFAOYSA-N- Molecular formula
- C20H20BrNO4
- Average molar mass
- 418.3 g/mol
Names & identifiers
- Preferred name
- 4-bromo-3-(6-hydroxy-1,3-benzodioxol-5-yl)-1-pentyl-1,3-dihydro-2H-indol-2-one
- IUPAC
- 4-bromo-3-(6-hydroxy-1,3-benzodioxol-5-yl)-1-pentyl-3H-indol-2-one
Names & synonyms
SCHEMBL281923JXQYISCRXLWTIT-UHFFFAOYSA-N4-bromo-3-(6-hydroxy-1,3-benzodioxol-5-yl)-1-pentyl-1,3-dihydro-2H-indol-2-one
Database identifiers
- PubChem CID
- 58872500
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Related reactions
152 records
Compound notes
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