N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}ethanesulfonamide
Chemical Structure Depiction of
N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}ethanesulfonamide
N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}ethanesulfonamide
Compound characteristics
| Compound ID: | M070-1160 |
| Compound Name: | N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}ethanesulfonamide |
| Molecular Weight: | 330.49 |
| Molecular Formula: | C13 H18 N2 O2 S3 |
| Smiles: | CCS(Nc1ccc2c(c1)sc(n2)SCC(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.315 |
| logD: | 4.3011 |
| logSw: | -4.2288 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.868 |
| InChI Key: | ATDJWYNUWGLUBO-UHFFFAOYSA-N |