N-{5-[(1H-benzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3,4-diethoxybenzamide
Chemical Structure Depiction of
N-{5-[(1H-benzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3,4-diethoxybenzamide
N-{5-[(1H-benzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3,4-diethoxybenzamide
Compound characteristics
| Compound ID: | C301-7844 |
| Compound Name: | N-{5-[(1H-benzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3,4-diethoxybenzamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CCOc1ccc(cc1OCC)C(Nc1nnc(Cc2nc3ccccc3[nH]2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7349 |
| logD: | 2.9748 |
| logSw: | -4.0524 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.8 |
| InChI Key: | AUMBQSNWBQIEAR-UHFFFAOYSA-N |