6-(4-bromophenyl)-3-[(phenylsulfanyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Chemical Structure Depiction of
6-(4-bromophenyl)-3-[(phenylsulfanyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
6-(4-bromophenyl)-3-[(phenylsulfanyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | 8537-2830 |
| Compound Name: | 6-(4-bromophenyl)-3-[(phenylsulfanyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 417.35 |
| Molecular Formula: | C17 H13 Br N4 S2 |
| Smiles: | C1C(c2ccc(cc2)[Br])=Nn2c(CSc3ccccc3)nnc2S1 |
| Stereo: | ACHIRAL |
| logP: | 4.7226 |
| logD: | 4.7036 |
| logSw: | -4.8718 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.934 |
| InChI Key: | ZQIAWDLXHXRMCN-UHFFFAOYSA-N |