N-{5-[2-(4-bromobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{5-[2-(4-bromobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide
N-{5-[2-(4-bromobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | 1937-0307 |
| Compound Name: | N-{5-[2-(4-bromobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide |
| Molecular Weight: | 466.37 |
| Molecular Formula: | C18 H16 Br N3 O3 S2 |
| Smiles: | Cc1ccc(cc1)C(Nc1nnc(CCS(c2ccc(cc2)[Br])(=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2593 |
| logD: | 3.4363 |
| logSw: | -4.2007 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.135 |
| InChI Key: | BYBLILIZRZBFCM-UHFFFAOYSA-N |