N-{5-[2-(4-chlorobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{5-[2-(4-chlorobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
N-{5-[2-(4-chlorobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | 2900-0101 |
| Compound Name: | N-{5-[2-(4-chlorobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 497.97 |
| Molecular Formula: | C20 H20 Cl N3 O6 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1nnc(CCS(c2ccc(cc2)[Cl])(=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3775 |
| logD: | 3.3222 |
| logSw: | -4.0116 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.113 |
| InChI Key: | AGMRYVBYMPCGHX-UHFFFAOYSA-N |