Basic information
- Standard SMILES
CCCCCN1C(=O)C(O)(c2ccc3c(c2)OCO3)c2ccccc21- InChIKey
ZQPDSCCBOSOKMP-UHFFFAOYSA-N- Molecular formula
- C20H21NO4
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.14705815
Names & identifiers
- Preferred name
- 3-(Benzo[d][1,3]dioxol-5-yl)-3-hydroxy-1-pentylindolin-2-one
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-3-hydroxy-1-pentylindol-2-one
Names & synonyms
CHEMBL1779936SCHEMBL281707ZQPDSCCBOSOKMP-UHFFFAOYSA-NBDBM50344835PD1892273-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-1-pentylindolin-2-one3-(1,3-benzodioxol-5-yl)-3-hydroxy-1-pentyl-1,3-dihydro-2H-indol-2-one
Database identifiers
- PubChem CID
- 12004337
- ChEMBL
CHEMBL1779936
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
8 records
Compound notes
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