N-(2H-1,3-benzodioxol-5-yl)-5-[(3,5-dimethoxybenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[(3,5-dimethoxybenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[(3,5-dimethoxybenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L061-0694 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[(3,5-dimethoxybenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 442.45 |
| Molecular Formula: | C20 H18 N4 O6 S |
| Smiles: | COc1cc(cc(c1)OC)C(NCc1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7535 |
| logD: | 2.7527 |
| logSw: | -3.429 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.945 |
| InChI Key: | KBJHAGVOIPEKMU-UHFFFAOYSA-N |