2-ethyl-N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
2-ethyl-N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
2-ethyl-N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | D336-3643 |
| Compound Name: | 2-ethyl-N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide |
| Molecular Weight: | 414.59 |
| Molecular Formula: | C22 H26 N2 O2 S2 |
| Smiles: | CCC(CC)C(Nc1ccc2c(c1)sc(n2)SCCOc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0723 |
| logD: | 6.0723 |
| logSw: | -5.3214 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.829 |
| InChI Key: | PMYDVCAAIZECMK-UHFFFAOYSA-N |