5-tert-butyl-N-{4-hydroxy-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]phenyl}-2,3-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
5-tert-butyl-N-{4-hydroxy-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]phenyl}-2,3-dimethylbenzene-1-sulfonamide
5-tert-butyl-N-{4-hydroxy-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]phenyl}-2,3-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 7202-1591 |
| Compound Name: | 5-tert-butyl-N-{4-hydroxy-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]phenyl}-2,3-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C20 H24 N4 O3 S2 |
| Smiles: | Cc1cc(cc(c1C)S(Nc1ccc(c(c1)Sc1nc[nH]n1)O)(=O)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.9441 |
| logD: | 4.9148 |
| logSw: | -4.2368 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.59 |
| InChI Key: | HFCBRGGGUDOHCQ-UHFFFAOYSA-N |