N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-4-bromobenzamide
Chemical Structure Depiction of
N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-4-bromobenzamide
N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-4-bromobenzamide
Compound characteristics
| Compound ID: | 8010-2149 |
| Compound Name: | N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-4-bromobenzamide |
| Molecular Weight: | 420.35 |
| Molecular Formula: | C17 H14 Br N3 O S2 |
| Smiles: | C(c1ccccc1)SCc1nnc(NC(c2ccc(cc2)[Br])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0486 |
| logD: | 3.426 |
| logSw: | -4.9953 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.098 |
| InChI Key: | SZEGPMRCPJMBKH-UHFFFAOYSA-N |