2-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1H-isoindole-1,3(2H)-dione
2-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8010-6302 |
| Compound Name: | 2-(5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C18 H12 N4 O5 S2 |
| Smiles: | COc1ccc(cc1CSc1nnc(N2C(c3ccccc3C2=O)=O)s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7677 |
| logD: | 3.7677 |
| logSw: | -3.9388 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.3 |
| InChI Key: | SWMRTZAPWYACDA-UHFFFAOYSA-N |