N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | D336-4306 |
| Compound Name: | N-(2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C26 H26 N2 O4 S2 |
| Smiles: | Cc1cc(C)cc(c1)OCCSc1nc2ccc(cc2s1)NC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1678 |
| logD: | 6.1677 |
| logSw: | -5.4682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.818 |
| InChI Key: | ZCPIPPVXZGAKML-UHFFFAOYSA-N |