Basic information
- CAS
689741-92-2- Standard SMILES
CCCCN1C(=O)C(O)(CC(=O)c2c(C)coc2C)c2ccccc21- InChIKey
TUJSIWYQTWABJQ-UHFFFAOYSA-N- Molecular formula
- C20H23NO4
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- 1-Butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one
- IUPAC
- 1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one
- English name
- 1-butyl-3-[2-(2,4-dimethyl-3-furyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C20H23NO4
- Molecular weight
- 341.40092
Names & synonyms
1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one1-butyl-3-[2-(2,4-dimethyl-3-furyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-oneMLS000675956CHEMBL1313345HMS2588P21STK214750AKOS005417711SMR000297258ST50866745AK-778/432064723-[2-(2,4-dimethyl(3-furyl))-2-oxoethyl]-1-butyl-3-hydroxyindolin-2-one1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
Show more names
689741-92-2
Database identifiers
- CAS
689741-92-2- ChEMBL
CHEMBL1313345
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 522
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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