1-(2-Amino-1-(isopropylsulfonyl)-1H-benzo[d]imidazol-6-yl)-2-(2,4-difluorophenyl)ethane-1,2-dione

• Catalog: OFC849064397
• CAS: 849064-39-7
• Category: Fluorinated Benzimidazoles
• Purity: 97%

• IUPAC Name: 1-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-(2,4-difluorophenyl)ethane-1,2-dione
• InChI: InChI=1S/C18H15F2N3O4S/c1-9(2)28(26,27)23-15-7-10(3-6-14(15)22-18(23)21)16(24)17(25)12-5-4-11(19)8-13(12)20/h3-9H,1-2H3,(H2,21,22)
• InChI Key: VDJFSBCLGDWBFU-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=O)C(=O)C3=C(C=C(C=C3)F)F)N=C1N

• Molecular Formula: C18H15F2N3O4S
• Molecular Weight: 407.39

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 407.07513347 g/mol
• Monoisotopic Mass: 407.07513347 g/mol
• Topological Polar Surface Area: 121Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 727