KX-2361 BesylateProduct ingredient for KX-2361
- Name
- KX-2361 Besylate
- Drug Entry
- KX-2361
- Accession Number
- DBSALT003302
- Structure
Structure for KX-2361 Besylate (DBSALT003302)
- Synonyms
- N-(3-FLUOROBENZYL)-2-(5-(4-MORPHOLINOPHENYL) PYRIDIN-2-YL) ACETAMIDE BESYLATE
- UNII
- A718CYC1N0
- CAS Number
- 1571072-87-1
- Weight
- Average: 563.64
Monoisotopic: 563.189020415 - Chemical Formula
- C30H30FN3O5S
- InChI Key
- PTKRPOIHIOAMPP-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H24FN3O2.C6H6O3S/c25-21-3-1-2-18(14-21)16-27-24(29)15-22-7-4-20(17-26-22)19-5-8-23(9-6-19)28-10-12-30-13-11-28;7-10(8,9)6-4-2-1-3-5-6/h1-9,14,17H,10-13,15-16H2,(H,27,29);1-5H,(H,7,8,9)
- IUPAC Name
- N-[(3-fluorophenyl)methyl]-2-{5-[4-(morpholin-4-yl)phenyl]pyridin-2-yl}acetamide; benzenesulfonic acid
- SMILES
- OS(=O)(=O)C1=CC=CC=C1.FC1=CC=CC(CNC(=O)CC2=NC=C(C=C2)C2=CC=C(C=C2)N2CCOCC2)=C1
- External Links
- ChemSpider
- 64853648
- Predicted Properties
Property Value Source logP 3.6 Chemaxon pKa (Strongest Acidic) 15.12 Chemaxon pKa (Strongest Basic) 3.97 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 54.46 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 115.02 m3·mol-1 Chemaxon Polarizability 43.49 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon