Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(C=O)ccc21- InChIKey
UBGCGEQRLIHOHB-UHFFFAOYSA-N- Molecular formula
- C22H19ClN2O4
- Average molar mass
- 410.8 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-7-[1-(tert-butoxycarbonyl)-5-formylindol-2-yl]isoindolinone
- IUPAC
- tert-butyl 2-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-5-formylindole-1-carboxylate
Names & synonyms
SCHEMBL3043890UBGCGEQRLIHOHB-UHFFFAOYSA-N4-chloro-7-[1-(tert-butoxycarbonyl)-5-formylindol-2-yl]isoindolinone4-chloro-7-[1-(tert.-butoxycarbonyl)-5-formylindol-2-yl]isoindolinone
Database identifiers
- PubChem CID
- 86628227
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 678
Related reactions
58 records
Linked notes
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