4-Chloro-7-{1-(tert-butoxycarbonyl)-5-[(1-hydroxymethylcyclopentyl)aminomethyl]indol-2-yl}isoindolinone

HCID 68488741
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Basic information

Standard SMILES
CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CNC3(CO)CCCC3)ccc21
InChIKey
DEMRIFJFWNQWKT-UHFFFAOYSA-N
Molecular formula
C28H32ClN3O4
Average molar mass
510 g/mol

Names & identifiers

Preferred name
4-Chloro-7-{1-(tert-butoxycarbonyl)-5-[(1-hydroxymethylcyclopentyl)aminomethyl]indol-2-yl}isoindolinone
IUPAC
tert-butyl 2-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]indole-1-carboxylate

Names & synonyms

SCHEMBL3038161DEMRIFJFWNQWKT-UHFFFAOYSA-N4-chloro-7-{1-(tert-butoxycarbonyl)-5-[(1-hydroxymethylcyclopentyl)aminomethyl]indol-2-yl}isoindolinone

Database identifiers

PubChem CID
68488741

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
92.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
36

Related reactions

1 records
New reaction record

Linked notes

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