| SpectraBase Spectrum ID |
30niWOf2T3y |
| Name |
3-[4-(1,3-Benzothiazol-2-yl)-1-piperazinyl]-1-(4-fluorophenyl)-2,5-pyrrolidinedione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.121275203 u |
| Formula |
C21H19FN4O2S |
| InChI |
InChI=1S/C21H19FN4O2S/c22-14-5-7-15(8-6-14)26-19(27)13-17(20(26)28)24-9-11-25(12-10-24)21-23-16-3-1-2-4-18(16)29-21/h1-8,17H,9-13H2 |
| InChIKey |
JRLYYSDNZAXLAW-UHFFFAOYSA-N |
| Molecular Weight |
410.467 g/mol |
| SMILES |
C1=CC=2SC(N3CCN(C4C(N(C(C4)=O)C=4C=CC(=CC4)F)=O)CC3)=NC2C=C1 |
![3-[4-(1,3-Benzothiazol-2-yl)-1-piperazinyl]-1-(4-fluorophenyl)-2,5-pyrrolidinedione](/api/spectrum/30niWOf2T3y/structure.png?h=300&w=458 "3-[4-(1,3-Benzothiazol-2-yl)-1-piperazinyl]-1-(4-fluorophenyl)-2,5-pyrrolidinedione")
