JBJ

(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide



Chemical Component Summary

Name(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
Identifiers(2~{R})-2-(5-fluoranyl-2-oxidanyl-phenyl)-2-[3-oxidanylidene-5-(4-piperazin-1-ylphenyl)-1~{H}-isoindol-2-yl]-~{N}-(1,3-thiazol-2-yl)ethanamide
FormulaC29 H26 F N5 O3 S
Molecular Weight543.612
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1c2ccc3c(c2)C(=O)N(C3)[C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6
InChIInChI=1S/C29H26FN5O3S/c30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34/h1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37)/t26-/m1/s1
InChIKeyVHQVOTINPRYDAO-AREMUKBSSA-N

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count1
Bond Count70
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 124173751