1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(1S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazole

2.1.2 InChI

InChI=1S/C24H27FN6O3S2/c1-4-16-12-26-22(27-13-16)30-9-7-17(8-10-30)15(2)34-24-29-31-14-21(28-23(31)35-24)19-6-5-18(11-20(19)25)36(3,32)33/h5-6,11-15,17H,4,7-10H2,1-3H3/t15-/m0/s1

2.1.3 InChI Key

UUMBXZTUKTTYMG-HNNXBMFYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl19434189

2. Mkp10241

3. Ex-a16645

4. 2137977-29-6

2.3 Create Date

2018-01-29

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₇FN₆O₃S₂
Molecular Weight	530.6 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	139
Heavy Atom Count	36
Formal Charge	0
Complexity	834
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

2-[(1S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazole

2-[(1S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazole

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