Primary record
JTK-853
- CAS
- 954389-09-4
- PubChem CID
- 57519700
- SMILES
- C1CC1C2=NC=C3C(=N2)N=C(S3)N4CCN([C@H](C4)C(=O)NCC5=CC(=C(C=C5)OC(F)(F)F)F)S(=O)(=O)C6=CC=C(C=C6)C(F)(F)F
- Molecular Formula
- C28H23F7N6O4S2
- Molecular Weight
- 704.65
- Exact Mass
- 704.111
- InChI
- InChI=1S/C28H23F7N6O4S2/c29-19-11-15(1-8-21(19)45-28(33,34)35)12-37-25(42)20-14-40(26-39-24-22(46-26)13-36-23(38-24)16-2-3-16)9-10-41(20)47(43,44)18-6-4-17(5-7-18)27(30,31)32/h1,4-8,11,13,16,20H,2-3,9-10,12,14H2,(H,37,42)/t20-/m1/s1
- InChIKey
- JQLOVYLALGSISI-HXUWFJFHSA-N
- LogP
- 5.2161
- TPSA
- 117.62
Names and synonyms
- JTK-853
- 3vqs
- WDX8QQD13B
- UNII-WDX8QQD13B
- RefChem:150586
- D01ZGH
- JTK 853
- 954389-09-4
- DTXSID60241836
- JQLOVYLALGSISI-HXUWFJFHSA-N
- orb1707152
- SCHEMBL2440999
- CHEMBL4297295
- SCHEMBL30518874
- DTXCID90164327
- GLXC-23345
- AKOS040741902
- DB13095
- DA-54563
- HY-19921
- 2-Piperazinecarboxamide, 4-(5-cyclopropylthiazolo(4,5-d)pyrimidin-2-yl)-n-((3-fluoro-4-(trifluoromethoxy)phenyl)methyl)-1-((4-(trifluoromethyl)phenyl)sulfonyl)-, (2R)-
- CS-0016935
- NS00073157
- J3.095.677J
- A1068740
- Q27292580
- (2R)-4-(5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide
- (2r)-4-(5-Cyclopropyl[1,3]thiazolo[4,5-D]pyrimidin-2-Yl)-N-[3-Fluoro-4-(Trifluoromethoxy)benzyl]-1-{[4-(Trifluoromethyl)phenyl]sulfonyl}piperazine-2-Carboxamide
- (2R)-4-(5-cyclopropyl-(1,3)thiazolo(4,5-d)pyrimidin-2-yl)-N-((3-fluoro-4-(trifluoromethoxy)phenyl)methyl)-1-(4-(trifluoromethyl)benzenesulfonyl)piperazine-2-carboxamide
- (2R)-4-(5-Cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-1-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazine-2-carboxamide