2-[(benzenesulfonyl)methyl]-5-(4-methylanilino)-3-phenyl-1,2,4-thiadiazol-2-ium--chloride (1/1)
Chemical Structure Depiction of
2-[(benzenesulfonyl)methyl]-5-(4-methylanilino)-3-phenyl-1,2,4-thiadiazol-2-ium--chloride (1/1)
2-[(benzenesulfonyl)methyl]-5-(4-methylanilino)-3-phenyl-1,2,4-thiadiazol-2-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 3325-0075 |
| Compound Name: | 2-[(benzenesulfonyl)methyl]-5-(4-methylanilino)-3-phenyl-1,2,4-thiadiazol-2-ium--chloride (1/1) |
| Molecular Weight: | 458 |
| Molecular Formula: | C22 H20 N3 O2 S2 |
| Salt: | Cl- |
| Smiles: | Cc1ccc(cc1)Nc1nc(c2ccccc2)[n+](CS(c2ccccc2)(=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.6669 |
| logD: | 5.6669 |
| logSw: | -5.6692 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.455 |
| InChI Key: | DPRNKIHTFXANSQ-UHFFFAOYSA-O |