3,5-dimethyl-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-pyrazole-4-sulfonamide
Chemical Structure Depiction of
3,5-dimethyl-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-pyrazole-4-sulfonamide
3,5-dimethyl-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-pyrazole-4-sulfonamide
Compound characteristics
| Compound ID: | M070-1187 |
| Compound Name: | 3,5-dimethyl-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: | CC(C)CSc1nc2ccc(cc2s1)NS(c1c(C)n[nH]c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2312 |
| logD: | 4.1854 |
| logSw: | -4.2281 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.885 |
| InChI Key: | IBYSKLWLJZCLGS-UHFFFAOYSA-N |