4-bromo-N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
4-bromo-N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}benzamide
4-bromo-N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | 3202-0086 |
| Compound Name: | 4-bromo-N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 418.31 |
| Molecular Formula: | C18 H16 Br N3 O2 S |
| Smiles: | Cc1cccc(c1C)OCc1nnc(NC(c2ccc(cc2)[Br])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2594 |
| logD: | 3.3754 |
| logSw: | -5.1079 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.684 |
| InChI Key: | SUFRNOXGUPXFJB-UHFFFAOYSA-N |