4-(4-Methyl-3-chlorobenzenesulfonyloxy)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone

HCID 86628243

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(S(=O)(=O)Oc2ccc(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c3c2CNC3=O)cc1Cl
InChIKey: KCOIZUDDEAVLHL-UHFFFAOYSA-N
Molecular formula: C34H36ClN3O6S
Average molar mass: 650.2 g/mol

Names & identifiers

Preferred name: 4-(4-Methyl-3-chlorobenzenesulfonyloxy)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone
IUPAC: tert-butyl 2-[7-(3-chloro-4-methylphenyl)sulfonyloxy-3-oxo-1,2-dihydroisoindol-4-yl]-5-(piperidin-1-ylmethyl)indole-1-carboxylate

Names & synonyms

SCHEMBL3040282KCOIZUDDEAVLHL-UHFFFAOYSA-N4-(4-methyl-3-chlorobenzenesulfonyloxy)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone

Database identifiers

PubChem CID: 86628243

Properties

Computed structural properties

XLogP: 6.6
Topological polar surface area: 115 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 45
Formal charge: 0
Complexity: 1,180

Related reactions

1 records

New reaction record

HRID 21138As productuspto-grants-2010_06

Compound notes

Loading…