Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1c(-c2cc(-c3ccco3)c(Cl)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21- InChIKey
YPDRDFBKVNPMMU-UHFFFAOYSA-N- Molecular formula
- C31H32ClN3O4
- Average molar mass
- 546.1 g/mol
- Monoisotopic mass
- 545.2081342
Names & identifiers
- Preferred name
- 4-Chloro-5-(2-furyl)-7-[1-(tert-butoxycarbonyl)-5-(piperidin-1-ylmethyl)indol-2-yl]isoindolinone
- IUPAC
- tert-butyl 2-[7-chloro-6-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-5-(piperidin-1-ylmethyl)indole-1-carboxylate
Names & synonyms
SCHEMBL3033517YPDRDFBKVNPMMU-UHFFFAOYSA-N4-chloro-5-(2-furyl)-7-[1-(tert-butoxycarbonyl)-5-(piperidin-1-ylmethyl)indol-2-yl]isoindolinone
Database identifiers
- PubChem CID
- 68487346
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 905
Related reactions
2 records
Compound notes
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