2-bromo-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
2-bromo-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
2-bromo-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | Y030-8717 |
| Compound Name: | 2-bromo-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 434.31 |
| Molecular Formula: | C18 H16 Br N3 O3 S |
| Smiles: | COc1ccc(Cc2nnc(NC(c3ccccc3[Br])=O)s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.6643 |
| logD: | 2.6696 |
| logSw: | -4.0078 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.359 |
| InChI Key: | SNOMDPRKFMYETE-UHFFFAOYSA-N |