N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | D336-2147 |
| Compound Name: | N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide |
| Molecular Weight: | 417.52 |
| Molecular Formula: | C20 H20 F N3 O2 S2 |
| Smiles: | CC(C)(C)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5108 |
| logD: | 4.5106 |
| logSw: | -4.3029 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.863 |
| InChI Key: | YNJXYMBVHQUACH-UHFFFAOYSA-N |