SC-435

Ligand id: 6530

Name: SC-435

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 15
Topological polar surface area 93.68
Molecular weight 643.38
XLogP 6.13
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4R,5R)-5-[4-[4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)butoxy]phenyl]-3,3-dibutyl-7,8-dimethoxy-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-4-ol
Database Links
CAS Registry No. 289037-66-7 (source: Scifinder)
PubChem CID 73755225
Search Google for chemical match using the InChIKey PHAUFFBQHZENJE-VSJLXWSYSA-N
Search Google for chemicals with the same backbone PHAUFFBQHZENJE
Search UniChem for chemical match using the InChIKey PHAUFFBQHZENJE-VSJLXWSYSA-N
Search UniChem for chemicals with the same backbone PHAUFFBQHZENJE