4-cyano-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-cyano-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}benzene-1-sulfonamide
4-cyano-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | M070-1246 |
| Compound Name: | 4-cyano-N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}benzene-1-sulfonamide |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C18 H17 N3 O2 S3 |
| Smiles: | CC(C)CSc1nc2ccc(cc2s1)NS(c1ccc(C#N)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0635 |
| logD: | 4.9335 |
| logSw: | -4.688 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.026 |
| InChI Key: | JBFUMFQBDNJFNH-UHFFFAOYSA-N |