N-{5-[2-(4-bromobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{5-[2-(4-bromobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-3-methoxybenzamide
N-{5-[2-(4-bromobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | 1937-0353 |
| Compound Name: | N-{5-[2-(4-bromobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-3-methoxybenzamide |
| Molecular Weight: | 482.37 |
| Molecular Formula: | C18 H16 Br N3 O4 S2 |
| Smiles: | COc1cccc(c1)C(Nc1nnc(CCS(c2ccc(cc2)[Br])(=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.898 |
| logD: | 3.5744 |
| logSw: | -4.1382 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.678 |
| InChI Key: | ORVYMFVHDIRMLG-UHFFFAOYSA-N |