N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-ethoxybenzamide
Chemical Structure Depiction of
N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-ethoxybenzamide
N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-ethoxybenzamide
Compound characteristics
| Compound ID: | 3086-0051 |
| Compound Name: | N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-ethoxybenzamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | CCOc1cccc(c1)C(Nc1nnc(COc2ccc(cc2)C(C)(C)C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7917 |
| logD: | 5.2943 |
| logSw: | -5.4769 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.721 |
| InChI Key: | JRNKCTUMNQFONV-UHFFFAOYSA-N |