N-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
N-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1937-0347 |
| Compound Name: | N-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C18 H16 N4 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(CCc1nnc(NC(c2ccc(cc2)[N+]([O-])=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.351 |
| logD: | 2.4669 |
| logSw: | -3.81 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.516 |
| InChI Key: | XUPLMKIBTIVBJO-UHFFFAOYSA-N |