dithiipin-1,1,4,4-tetroxide analogue 7

Ligand id: 6124

Name: dithiipin-1,1,4,4-tetroxide analogue 7

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 85.04
Molecular weight 286.03
XLogP 2.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(4-methylphenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
Database Links
PubChem CID 9947811
Search Google for chemical match using the InChIKey KZYCUCAZAITGMW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KZYCUCAZAITGMW
Search UniChem for chemical match using the InChIKey KZYCUCAZAITGMW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KZYCUCAZAITGMW