thio-BCTC

Ligand id: 2473

Name: thio-BCTC

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 63.49
Molecular weight 388.15
XLogP 6.53
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carbothioamide
Database Links
PubChem CID 21037647
Search Google for chemical match using the InChIKey ODPJGEXSZMHIBU-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey ODPJGEXSZMHIBU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ODPJGEXSZMHIBU