JYL1421

Ligand id: 4230

Name: JYL1421

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 110.7
Molecular weight 423.15
XLogP 6.23
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-methanesulfonamidophenyl)methyl]thiourea
Synonyms
JYL-1421 | SC-0030 | SC0030
Database Links
CAS Registry No. 401907-26-4 (source: Scifinder)
ChEMBL Ligand CHEMBL388824
PubChem CID 10295883
Search Google for chemical match using the InChIKey DUHBVFMCIJLUJX-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey DUHBVFMCIJLUJX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DUHBVFMCIJLUJX