Basic information
- Standard SMILES
CC(C)(CO)CNCc1ccc2c(c1)cc(-c1ccc(Cl)c3c1C(=O)NC3)n2C(=O)OC(C)(C)C- InChIKey
WIERKWUVHLWMGK-UHFFFAOYSA-N- Molecular formula
- C27H32ClN3O4
- Average molar mass
- 498 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-7-{1-(tert-butoxycarbonyl)-5-[(3-hydroxy-2,2-dimethylpropyl)aminomethyl]indol-2-yl}isoindolinone
- IUPAC
- tert-butyl 2-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-5-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]indole-1-carboxylate
Names & synonyms
SCHEMBL3042296WIERKWUVHLWMGK-UHFFFAOYSA-N4-chloro-7-{1-(tert-butoxycarbonyl)-5-[(3-hydroxy-2,2-dimethylpropyl)aminomethyl]indol-2-yl}isoindolinone
Database identifiers
- PubChem CID
- 68490233
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 785
Related reactions
1 records
Compound notes
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