Structure

InChI Key ZRZLEMQBDKNTLJ-UHFFFAOYSA-N
Smile CN(CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C(=O)CNC(=O)CN.Cl
InChI
InChI=1S/C15H16F3N5O4S.ClH/c1-23(13(26)6-20-11(24)5-19)7-12(25)22-14-21-9-3-2-8(4-10(9)28-14)27-15(16,17)18;/h2-4H,5-7,19H2,1H3,(H,20,24)(H,21,22,25);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H17ClF3N5O4S
Molecular Weight 455.85
AlogP 0.67
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 126.65
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obsessive-Compulsive Disorder 3 D009771 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297673
FDA SRS BQ5F77DZS3
PubChem 133082858