3,5-difluoro-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
3,5-difluoro-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}benzene-1-sulfonamide
3,5-difluoro-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | M070-2217 |
| Compound Name: | 3,5-difluoro-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}benzene-1-sulfonamide |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C17 H16 F2 N2 O2 S3 |
| Smiles: | CC(C)CSc1nc2ccc(cc2s1)NS(c1cc(cc(c1)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6738 |
| logD: | 5.5437 |
| logSw: | -5.5082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.97 |
| InChI Key: | TUGIASUTXKDMCJ-UHFFFAOYSA-N |