15H

(1S)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol


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Chemical Component Summary

Name(1S)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol
Identifiers(1S)-1-[1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]ethanol
FormulaC24 H25 N5 O2 S
Molecular Weight447.553
TypeNON-POLYMER
Isomeric SMILESC[C@@H](C1CCN(CC1)c2c(nccn2)Oc3ccc(cc3)Nc4nc5ccccc5s4)O
InChIInChI=1S/C24H25N5O2S/c1-16(30)17-10-14-29(15-11-17)22-23(26-13-12-25-22)31-19-8-6-18(7-9-19)27-24-28-20-4-2-3-5-21(20)32-24/h2-9,12-13,16-17,30H,10-11,14-15H2,1H3,(H,27,28)/t16-/m0/s1
InChIKeyGNWKATFENPQMIQ-INIZCTEOSA-N

Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count1
Bond Count61
Aromatic Bond Count22

Related Resource References

Resource NameReference
PubChem 70679303