N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2,2-dimethylpropanamide
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | D336-4987 |
| Compound Name: | N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-2,2-dimethylpropanamide |
| Molecular Weight: | 356.51 |
| Molecular Formula: | C19 H20 N2 O S2 |
| Smiles: | CC(C)(C)C(Nc1ccc2c(c1)sc(n2)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0552 |
| logD: | 5.0551 |
| logSw: | -4.7185 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.411 |
| InChI Key: | RHSZMDRXCZEYFA-UHFFFAOYSA-N |