SID7969543

Ligand Id: 5423
Ligand name SID7969543

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 103.4
Molecular weight 452.16
XLogP 2.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
ethyl 2-[(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]propanoate
Synonyms
ethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-7-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
SID 7969543
Database Links
CAS Registry No. 868224-64-0
PubChem CID 4076092
Search Google for chemical match using the InChIKey KWMBIIQCLUIHDI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KWMBIIQCLUIHDI
ZINC ZINC02712331