3,4-dimethoxy-N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide
Chemical Structure Depiction of
3,4-dimethoxy-N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide
3,4-dimethoxy-N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide
Compound characteristics
| Compound ID: | D336-3596 |
| Compound Name: | 3,4-dimethoxy-N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C24 H22 N2 O4 S2 |
| Smiles: | COc1ccc(cc1OC)C(Nc1ccc2c(c1)sc(n2)SCCOc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2562 |
| logD: | 5.2561 |
| logSw: | -5.0714 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.818 |
| InChI Key: | TWUBREBPEKRCPF-UHFFFAOYSA-N |