3-methyl-N-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
3-methyl-N-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
3-methyl-N-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | D336-4063 |
| Compound Name: | 3-methyl-N-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide |
| Molecular Weight: | 400.56 |
| Molecular Formula: | C21 H24 N2 O2 S2 |
| Smiles: | CC(C)CC(Nc1ccc2c(c1)sc(n2)SCCOc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8695 |
| logD: | 5.8695 |
| logSw: | -5.4413 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.702 |
| InChI Key: | FQHKWOHAMKNDNU-UHFFFAOYSA-N |