2-[7-(3,4-Dimethoxyphenyl)-7-[(4-methylphenyl)thio]heptyl]-2,3-dihydro-5,6-dimethoxy-1H-isoindole

HCID 10697613
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(CCCCCCN2Cc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC
InChIKey
JVIBCEVSLTYPFB-UHFFFAOYSA-N
Molecular formula
C32H41NO4S
Average molar mass
535.7 g/mol

Names & identifiers

Preferred name
2-[7-(3,4-Dimethoxyphenyl)-7-[(4-methylphenyl)thio]heptyl]-2,3-dihydro-5,6-dimethoxy-1H-isoindole
IUPAC
2-[7-(3,4-dimethoxyphenyl)-7-(4-methylphenyl)sulfanylheptyl]-5,6-dimethoxy-1,3-dihydroisoindole

Names & synonyms

CHEMBL66877SCHEMBL8793263JVIBCEVSLTYPFB-UHFFFAOYSA-N2-[7-(3,4-Dimethoxyphenyl)-7-[(4-methylphenyl)thio]-heptyl]-2,3-dihydro-5,6-dimethoxy-1H-isoindole2-[7-(3,4-Dimethoxyphenyl)-7-[(4-methylphenyl)thio]heptyl]-2,3-dihydro-5,6-dimethoxy-1H-isoindole

Database identifiers

PubChem CID
10697613
ChEMBL
CHEMBL66877

Properties

Computed structural properties

XLogP
7.3
Topological polar surface area
65.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
14
Heavy atoms
38

Related reactions

3 records
New reaction record

Compound notes

Loading…