Basic information
- Standard SMILES
O=C1N(Cc2ccccn2)c2cccc(Br)c2C1(O)c1cc2c(cc1O)OCC2- InChIKey
RMHOMBBGZSPMRL-UHFFFAOYSA-N- Molecular formula
- C22H17BrN2O4
- Average molar mass
- 453.3 g/mol
Names & identifiers
- Preferred name
- 4-bromo-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-1-(pyridin-2-ylmethyl)-1,3-dihydro-2H-indol-2-one
- IUPAC
- 4-bromo-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-1-(pyridin-2-ylmethyl)indol-2-one
Names & synonyms
SCHEMBL281940RMHOMBBGZSPMRL-UHFFFAOYSA-N4-bromo-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-1-(pyridin-2-ylmethyl)-1,3-dihydro-2H-indol-2-one
Database identifiers
- PubChem CID
- 58872508
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 636
Related reactions
10 records
Compound notes
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