2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8008-5729 |
| Compound Name: | 2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 490.51 |
| Molecular Formula: | C23 H14 N4 O5 S2 |
| Smiles: | C(C(Nc1cccc(c1)[N+]([O-])=O)=O)Sc1nc2ccc(cc2s1)N1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.81 |
| logD: | 4.8093 |
| logSw: | -4.8587 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.221 |
| InChI Key: | JAIDJODOQMFXHT-UHFFFAOYSA-N |