4-bromo-N-{5-[2-(4-methoxybenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
4-bromo-N-{5-[2-(4-methoxybenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide
4-bromo-N-{5-[2-(4-methoxybenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | 4068-0125 |
| Compound Name: | 4-bromo-N-{5-[2-(4-methoxybenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 482.37 |
| Molecular Formula: | C18 H16 Br N3 O4 S2 |
| Smiles: | COc1ccc(cc1)S(CCc1nnc(NC(c2ccc(cc2)[Br])=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8183 |
| logD: | 2.2159 |
| logSw: | -4.096 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.678 |
| InChI Key: | QLRQHTNERQZCOR-UHFFFAOYSA-N |