N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)methanesulfonamide
Chemical Structure Depiction of
N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)methanesulfonamide
N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)methanesulfonamide
Compound characteristics
| Compound ID: | D336-4686 |
| Compound Name: | N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)methanesulfonamide |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C18 H20 N2 O4 S3 |
| Smiles: | Cc1ccc(c(c1)OC)OCCSc1nc2ccc(cc2s1)NS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7629 |
| logD: | 3.7289 |
| logSw: | -3.9083 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.05 |
| InChI Key: | PVDSCKZNRSZAGP-UHFFFAOYSA-N |