Atabecestat

• Catalog: OFC1200493782
• CAS: 1200493-78-2
• Category: Fluorinated APIs
• Synonyms: (S)-N-(3-(2-amino-4-methyl-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide; JNJ-54861911
• Purity: 98%

• IUPAC Name: N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
• InChI: InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1
• InChI Key: VLLFGVHGKLDDLW-SFHVURJKSA-N
• Isomeric SMILES: C[C@]1(C=CSC(=N1)N)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)C#N)F
• EC Number: 807-396-1

• Molecular Formula: C18H14FN5OS
• Molecular Weight: 367.4

• XLogP3-AA: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 367.09030942 g/mol
• Monoisotopic Mass: 367.09030942 g/mol
• Topological Polar Surface Area: 130Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 659