N-{5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide
N-{5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | 8011-0534 |
| Compound Name: | N-{5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 450.31 |
| Molecular Formula: | C18 H16 Br N3 O4 S |
| Smiles: | COc1ccc(cc1OC)C(Nc1nnc(COc2ccc(cc2)[Br])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0057 |
| logD: | 3.6909 |
| logSw: | -4.2377 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.858 |
| InChI Key: | JNYGMNAPNZSGHK-UHFFFAOYSA-N |