26J

2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form



Chemical Component Summary

Name2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form
Identifiers2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-(oxidanylamino)-6-(trifluoromethyl)-1,3-benzothiazin-4-one
FormulaC20 H25 F3 N4 O2 S
Molecular Weight442.498
TypeNON-POLYMER
Isomeric SMILESc1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(F)(F)F
InChIInChI=1S/C20H25F3N4O2S/c21-20(22,23)14-10-15-17(16(11-14)25-29)30-19(24-18(15)28)27-8-6-26(7-9-27)12-13-4-2-1-3-5-13/h10-11,13,25,29H,1-9,12H2
InChIKeyXXSIMQFFRSHXQZ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count58
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 72771100