trans-JB253

Ligand id: 7788

Name: trans-JB253

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 111.61
Molecular weight 457.21
XLogP 6.81
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-cyclohexyl-3-{4-[(E)-2-[4-(diethylamino)phenyl]diazen-1-yl]benzenesulfonyl}urea
Database Links
PubChem CID 78060683
Search Google for chemical match using the InChIKey FCHDFDWESRUUDK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FCHDFDWESRUUDK
Search UniChem for chemical match using the InChIKey FCHDFDWESRUUDK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FCHDFDWESRUUDK
Comments
trans-JB253 is the inactive photoisomer of cis-JB253 [1].