compound 1 [PMID: 20080612]

Ligand id: 5819

Name: compound 1 [PMID: 20080612]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 96.78
Molecular weight 333.1
XLogP 3.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl 2-(furan-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxylate
Synonyms
BAS 00486818
Database Links
ChEMBL Ligand CHEMBL1578948
PubChem CID 673766
Search Google for chemical match using the InChIKey SCIMXCMXGZZKTB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SCIMXCMXGZZKTB
Search UniChem for chemical match using the InChIKey SCIMXCMXGZZKTB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SCIMXCMXGZZKTB