N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(4-methylbenzene-1-sulfonyl)acetamide
Chemical Structure Depiction of
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(4-methylbenzene-1-sulfonyl)acetamide
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(4-methylbenzene-1-sulfonyl)acetamide
Compound characteristics
| Compound ID: | Y031-2567 |
| Compound Name: | N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(4-methylbenzene-1-sulfonyl)acetamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C20 H21 N3 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(CC(Nc1nnc(Cc2ccc(c(c2)OC)OC)s1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8607 |
| logD: | 2.8308 |
| logSw: | -3.4491 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.182 |
| InChI Key: | FTZIFMZGPWOXGK-UHFFFAOYSA-N |