2-[(benzenesulfonyl)methyl]-5-(2,4-dichloroanilino)-3-phenyl-1,2,4-thiadiazol-2-ium--bromide (1/1)
Chemical Structure Depiction of
2-[(benzenesulfonyl)methyl]-5-(2,4-dichloroanilino)-3-phenyl-1,2,4-thiadiazol-2-ium--bromide (1/1)
2-[(benzenesulfonyl)methyl]-5-(2,4-dichloroanilino)-3-phenyl-1,2,4-thiadiazol-2-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4356-0754 |
| Compound Name: | 2-[(benzenesulfonyl)methyl]-5-(2,4-dichloroanilino)-3-phenyl-1,2,4-thiadiazol-2-ium--bromide (1/1) |
| Molecular Weight: | 557.31 |
| Molecular Formula: | C21 H16 Cl2 N3 O2 S2 |
| Salt: | Br- |
| Smiles: | C([n+]1c(c2ccccc2)nc(Nc2ccc(cc2[Cl])[Cl])s1)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4447 |
| logD: | 6.4447 |
| logSw: | -6.396 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.757 |
| InChI Key: | JJUVISRHOYFYJC-UHFFFAOYSA-O |