2-(3,4-dimethylphenoxy)-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
2-(3,4-dimethylphenoxy)-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
2-(3,4-dimethylphenoxy)-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | D336-0243 |
| Compound Name: | 2-(3,4-dimethylphenoxy)-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C23 H25 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1C)OCC(Nc1ccc2c(c1)sc(n2)SCC(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2542 |
| logD: | 5.2541 |
| logSw: | -5.0359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.184 |
| InChI Key: | JTQJEBRNCLXHHR-UHFFFAOYSA-N |