XJT
3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid
Find entries where: XJT
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid |
| Identifiers | 3-[2-[3-[2,4-bis(azanyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxypropoxy]phenyl]propanoic acid |
| Formula | C23 H23 F3 N4 O4 |
| Molecular Weight | 476.448 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(c(c1)CCC(=O)O)OCCCOc2c(nc(nc2N)N)c3cccc(c3)C(F)(F)F |
| InChI | InChI=1S/C23H23F3N4O4/c24-23(25,26)16-7-3-6-15(13-16)19-20(21(27)30-22(28)29-19)34-12-4-11-33-17-8-2-1-5-14(17)9-10-18(31)32/h1-3,5-8,13H,4,9-12H2,(H,31,32)(H4,27,28,29,30) |
| InChIKey | DHSSDBBWRIMIDY-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 57 |
| Chiral Atom Count | 0 |
| Bond Count | 59 |
| Aromatic Bond Count | 18 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 169452179 |
