1-ethyl-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-pyrazole-4-sulfonamide
Chemical Structure Depiction of
1-ethyl-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-pyrazole-4-sulfonamide
1-ethyl-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-pyrazole-4-sulfonamide
Compound characteristics
| Compound ID: | M070-1216 |
| Compound Name: | 1-ethyl-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-pyrazole-4-sulfonamide |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C16 H20 N4 O2 S3 |
| Smiles: | CCn1cc(cn1)S(Nc1ccc2c(c1)sc(n2)SCC(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8779 |
| logD: | 3.876 |
| logSw: | -3.8182 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.471 |
| InChI Key: | GJTPEBDJLHHMSO-UHFFFAOYSA-N |