N-(2H-1,3-benzodioxol-5-yl)-5-[(4-ethoxybenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[(4-ethoxybenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[(4-ethoxybenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L061-0686 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[(4-ethoxybenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C20 H18 N4 O5 S |
| Smiles: | CCOc1ccc(cc1)C(NCc1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8571 |
| logD: | 2.8562 |
| logSw: | -3.4618 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.981 |
| InChI Key: | BRICABZZFFNPDQ-UHFFFAOYSA-N |