jte-7-31

Chemical data

Formula

C22H28N2O3

Molecular weight

368.5 g/mol

IUPAC name

2-[2-(4-hydroxyphenyl)ethyl]-5-methoxy-4-(pentylamino)-3H-isoindol-1-one

SMILES

CCCCCNC1=C(C=CC2=C1CN(C2=O)CCC3=CC=C(C=C3)O)OC

InChIKey

FMUMUYFMLZGXJR-UHFFFAOYSA-N

XLogP

4.3

Polar surface area

61.8 Ų

H-bond donors

2

H-bond acceptors

4

Formal charge

0

via PubChem

Drug data · ChEMBL

Molecule type

Small molecule

via ChEMBL · EBI

Wikidata facts

Subclass of

chemical compound

Mass

368.21

via Wikidata · CC0