2-[3-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[3-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3289-7984 |
| Compound Name: | 2-[3-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 401.4 |
| Molecular Formula: | C21 H11 N3 O4 S |
| Smiles: | c1ccc2c(c1)nc(c1cccc(c1)N1C(c3ccc(cc3C1=O)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.8069 |
| logD: | 4.8069 |
| logSw: | -4.991 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.71 |
| InChI Key: | IOCISPPUFWCWBO-UHFFFAOYSA-N |