2-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-1H-isoindole-1,3(2H)-dione
2-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y500-0021 |
| Compound Name: | 2-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C21 H11 N3 O4 S2 |
| Smiles: | c1ccc2C(N(C(c2c1)=O)c1cc(cc(c1)Sc1nc2ccccc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3127 |
| logD: | 5.3127 |
| logSw: | -5.6439 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.071 |
| InChI Key: | DZIZDSOZVIIWOC-UHFFFAOYSA-N |