2-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-1H-isoindole-1,3(2H)-dione
2-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8009-2561 |
| Compound Name: | 2-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C22 H14 N2 O2 S2 |
| Smiles: | C(c1ccccc1)Sc1nc2ccc(cc2s1)N1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0668 |
| logD: | 5.0668 |
| logSw: | -4.9707 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.69 |
| InChI Key: | LHRHHFPMKIQYFT-UHFFFAOYSA-N |