STX-107 dihydrochlorideProduct ingredient for STX-107
- Name
- STX-107 dihydrochloride
- Drug Entry
- STX-107
- Accession Number
- DBSALT003231
- Structure
Structure for STX-107 dihydrochloride (DBSALT003231)
- Synonyms
- 3-Fluoro-5-[5-(2-Menthyl-Thiazol-4-Ylethylnyl)-Pyridin-2-Yl]-Benzonitrile Dihydrochloride
- UNII
- 70QU352PWM
- CAS Number
- Not Available
- Weight
- Average: 392.27
Monoisotopic: 391.0113021 - Chemical Formula
- C18H12Cl2FN3S
- InChI Key
- NETHQDSSQKPGHM-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H10FN3S.2ClH/c1-12-22-17(11-23-12)4-2-13-3-5-18(21-10-13)15-6-14(9-20)7-16(19)8-15;;/h3,5-8,10-11H,1H3;2*1H
- IUPAC Name
- 3-fluoro-5-{5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl}benzonitrile dihydrochloride
- SMILES
- Cl.Cl.CC1=NC(=CS1)C#CC1=CN=C(C=C1)C1=CC(F)=CC(=C1)C#N
- External Links
- ChemSpider
- 68006891
- Predicted Properties
Property Value Source Water Solubility 0.00871 mg/mL ALOGPS logP 3.86 ALOGPS logP 4.08 Chemaxon logS -4.6 ALOGPS pKa (Strongest Basic) 2.15 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 49.57 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 81.72 m3·mol-1 Chemaxon Polarizability 33.82 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon