N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | D336-4628 |
| Compound Name: | N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide |
| Molecular Weight: | 416.56 |
| Molecular Formula: | C21 H24 N2 O3 S2 |
| Smiles: | CCCC(Nc1ccc2c(c1)sc(n2)SCCOc1ccc(C)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.043 |
| logD: | 5.043 |
| logSw: | -4.6497 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.333 |
| InChI Key: | SWIMHICAIDHJQH-UHFFFAOYSA-N |