ZBD

4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide


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Chemical Component Summary

Name4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide
Identifiers4-[3-[[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]methyl]-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-1-yl]-N-methyl-N-[(2R)-4-oxidanylbutan-2-yl]butanamide
FormulaC25 H29 F6 N3 O5 S
Molecular Weight597.57
TypeNON-POLYMER
Isomeric SMILESC[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O
InChIInChI=1S/C25H29F6N3O5S/c1-17(13-15-35)32(2)22(36)8-5-14-33-20-6-3-4-7-21(20)34(40(33,38)39)16-18-9-11-19(12-10-18)23(37,24(26,27)28)25(29,30)31/h3-4,6-7,9-12,17,35,37H,5,8,13-16H2,1-2H3/t17-/m1/s1
InChIKeySULHDXFOLGGHOR-QGZVFWFLSA-N

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count1
Bond Count71
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 91668550