N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | D336-4277 |
| Compound Name: | N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide |
| Molecular Weight: | 414.59 |
| Molecular Formula: | C22 H26 N2 O2 S2 |
| Smiles: | Cc1cc(C)cc(c1)OCCSc1nc2ccc(cc2s1)NC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1346 |
| logD: | 6.1345 |
| logSw: | -5.3889 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.829 |
| InChI Key: | ROOSJNVXLACITF-UHFFFAOYSA-N |