N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-2-bromobenzamide
Chemical Structure Depiction of
N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-2-bromobenzamide
N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-2-bromobenzamide
Compound characteristics
| Compound ID: | 8008-7433 |
| Compound Name: | N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-2-bromobenzamide |
| Molecular Weight: | 420.35 |
| Molecular Formula: | C17 H14 Br N3 O S2 |
| Smiles: | C(c1ccccc1)SCc1nnc(NC(c2ccccc2[Br])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.524 |
| logD: | 2.9014 |
| logSw: | -4.5216 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.098 |
| InChI Key: | DOBITSSVICXGMH-UHFFFAOYSA-N |