N-{5-[(1,3-benzothiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3-bromo-4-methoxybenzamide
Chemical Structure Depiction of
N-{5-[(1,3-benzothiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3-bromo-4-methoxybenzamide
N-{5-[(1,3-benzothiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3-bromo-4-methoxybenzamide
Compound characteristics
| Compound ID: | F163-0034 |
| Compound Name: | N-{5-[(1,3-benzothiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3-bromo-4-methoxybenzamide |
| Molecular Weight: | 461.36 |
| Molecular Formula: | C18 H13 Br N4 O2 S2 |
| Smiles: | COc1ccc(cc1[Br])C(Nc1nnc(Cc2nc3ccccc3s2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9401 |
| logD: | 4.1172 |
| logSw: | -4.7362 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.944 |
| InChI Key: | HCPKHDXNIQORLE-UHFFFAOYSA-N |