N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
Compound characteristics
| Compound ID: | D336-4274 |
| Compound Name: | N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide |
| Molecular Weight: | 400.56 |
| Molecular Formula: | C21 H24 N2 O2 S2 |
| Smiles: | CC(C)C(Nc1ccc2c(c1)sc(n2)SCCOc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8838 |
| logD: | 5.8838 |
| logSw: | -5.3719 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.829 |
| InChI Key: | MCDGPGWOMMEEPL-UHFFFAOYSA-N |