1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4R)-3-[2,3-difluoro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

2.1.2 InChI

InChI=1S/C15H18F2N2O3/c1-8-6-11(20)18-19-14(8)9-4-5-10(13(17)12(9)16)22-7-15(2,3)21/h4-5,8,21H,6-7H2,1-3H3,(H,18,20)/t8-/m1/s1

2.1.3 InChI Key

GGUTYKLJESECBW-MRVPVSSYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Opb-171775

2. 2131210-15-4

3. Orb2663983

4. Schembl20607360

5. Schembl29628228

6. Gtpl13643

7. Ex-a9729

8. Opb171775

9. (r)-6-(2,3-difluoro-4-(2-hydroxy-2-methylpropoxy)phenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one

10. Example 124 [us20190023662]

11. Hy-162730

12. H40364

13. (4r)-3-[2,3-difluoro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-methyl-4,5-dihydro-1h-pyridazin-6-one

14. (5r)-6-[2,3-difluoro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4,5-dihydro-5-methyl-3(2h)-pyridazinone

2.3 Create Date

2019-03-16

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₈F₂N₂O₃
Molecular Weight	312.31 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	70.9
Heavy Atom Count	22
Formal Charge	0
Complexity	456
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

OPB-171775