N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-ethoxybenzamide
Chemical Structure Depiction of
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-ethoxybenzamide
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-ethoxybenzamide
Compound characteristics
| Compound ID: | Y030-8880 |
| Compound Name: | N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-ethoxybenzamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | CCOc1ccccc1C(Nc1nnc(Cc2ccc(c(c2)OC)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6339 |
| logD: | 2.3208 |
| logSw: | -3.9442 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.569 |
| InChI Key: | TWSQDACABSTIRL-UHFFFAOYSA-N |