3-bromo-N-(2-{5-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-1,3,4-thiadiazol-2-yl}ethyl)benzamide
Chemical Structure Depiction of
3-bromo-N-(2-{5-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-1,3,4-thiadiazol-2-yl}ethyl)benzamide
3-bromo-N-(2-{5-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-1,3,4-thiadiazol-2-yl}ethyl)benzamide
Compound characteristics
| Compound ID: | Y032-4425 |
| Compound Name: | 3-bromo-N-(2-{5-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-1,3,4-thiadiazol-2-yl}ethyl)benzamide |
| Molecular Weight: | 514.36 |
| Molecular Formula: | C21 H16 Br N5 O4 S |
| Smiles: | C(CNC(c1cccc(c1)[Br])=O)c1nnc(NC(CN2C(c3ccccc3C2=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.7863 |
| logD: | 2.7593 |
| logSw: | -3.5643 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.936 |
| InChI Key: | LBCISYXXISLNJS-UHFFFAOYSA-N |