N-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
N-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
N-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | D336-3847 |
| Compound Name: | N-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide |
| Molecular Weight: | 386.53 |
| Molecular Formula: | C20 H22 N2 O2 S2 |
| Smiles: | CCCC(Nc1ccc2c(c1)sc(n2)SCCOc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.507 |
| logD: | 5.5069 |
| logSw: | -5.3045 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.615 |
| InChI Key: | ZBSPPYVVNIVSMW-UHFFFAOYSA-N |