2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8010-4998 |
| Compound Name: | 2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C18 H12 N4 O5 S2 |
| Smiles: | CCSc1nnc(N2C(c3ccc(cc3C2=O)Oc2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6028 |
| logD: | 4.6028 |
| logSw: | -4.5491 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.689 |
| InChI Key: | PLLYOUKEOWNNRK-UHFFFAOYSA-N |