Structure

InChI Key OUNXGNDVWVPCOL-UHFFFAOYSA-N
Smile CNCc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccc(F)cc2F)c1OC
InChI
InChI=1S/C19H17F3N2O3S/c1-23-10-12-11-24(28(25,26)15-5-3-4-13(20)8-15)18(19(12)27-2)16-7-6-14(21)9-17(16)22/h3-9,11,23H,10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17F3N2O3S
Molecular Weight 410.42
AlogP 3.54
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 60.33
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastroesophageal Reflux 3 D005764 ClinicalTrials
Peptic Ulcer 3 D010437 ClinicalTrials
Gastritis 3 D005756 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594445
FDA SRS BE52S2C1QT
SureChEMBL SCHEMBL18196939