2-(3,4-dimethylphenoxy)-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
2-(3,4-dimethylphenoxy)-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
2-(3,4-dimethylphenoxy)-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | D336-2160 |
| Compound Name: | 2-(3,4-dimethylphenoxy)-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 495.59 |
| Molecular Formula: | C25 H22 F N3 O3 S2 |
| Smiles: | Cc1ccc(cc1C)OCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9904 |
| logD: | 5.9903 |
| logSw: | -5.4282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.877 |
| InChI Key: | PEYPYUGBSUXNBR-UHFFFAOYSA-N |