Basic information
- Standard SMILES
Cc1ccc(-c2cc3cc(CN4CCCCC4)ccc3n2C(=O)OC(C)(C)C)c2c1CNC2=O- InChIKey
ACJCXGFUDRJRIW-UHFFFAOYSA-N- Molecular formula
- C28H33N3O3
- Average molar mass
- 459.6 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone
- IUPAC
- tert-butyl 2-(7-methyl-3-oxo-1,2-dihydroisoindol-4-yl)-5-(piperidin-1-ylmethyl)indole-1-carboxylate
Names & synonyms
SCHEMBL3039052ACJCXGFUDRJRIW-UHFFFAOYSA-N4-methyl-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone
Database identifiers
- PubChem CID
- 68489003
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 758
Related reactions
1 records
Compound notes
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