1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]acetamide

2.1.2 InChI

InChI=1S/C20H19F2N3O2S2/c1-12-19(29(3,23)27)28-20(24-12)25(2)18(26)10-13-4-6-14(7-5-13)16-11-15(21)8-9-17(16)22/h4-9,11,23H,10H2,1-3H3/t29-/m0/s1

2.1.3 InChI Key

JDZTWDISDHLKCR-LJAQVGFWSA-N

2.2 Other Identifiers

2.2.1 UNII

6ZQ8Q3CB8R

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Im-250

2. Adibelivir [inn]

3. A1chb

4. 6zq8q3cb8r

5. Chembl6014928

6. Schembl20876182

7. Bdbm542986

8. Us11278534, Example 7(-)

9. Hy-150306

10. Cs-1054005

11. (−)-(s)-2-(2',5'-difluoro-[1,1'-biphenyl]-4-yl)-n-methyl-n-(4-methyl-5-(s-methylsulfonimidoyl)thiazol-2-yl)acetamide

12. [1,1'-biphenyl]-4-acetamide, 2',5'-difluoro-n-methyl-n-[4-methyl-5-[[s(s)]-s-methylsulfonimidoyl]-2-thiazolyl]-

13. 2',5'-difluoro-n-methyl-n-[4-methyl-5-[[s(s)]-s-methylsulfonimidoyl]-2-thiazolyl][1,1'-biphenyl]-4-acetamide

2.4 Create Date

2019-07-20

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₉F₂N₃O₂S₂
Molecular Weight	435.5 g/mol
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	111
Heavy Atom Count	29
Formal Charge	0
Complexity	695
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Adibelivir