2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 3448-3246 |
| Compound Name: | 2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 558.51 |
| Molecular Formula: | C24 H13 F3 N4 O5 S2 |
| Smiles: | C(C(Nc1ccccc1C(F)(F)F)=O)Sc1nc2ccc(cc2s1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2739 |
| logD: | 5.2739 |
| logSw: | -5.3731 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.523 |
| InChI Key: | YBFRKPGRKHWTKY-UHFFFAOYSA-N |