4-fluoro-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-fluoro-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-fluoro-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-2133 |
| Compound Name: | 4-fluoro-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 455.5 |
| Molecular Formula: | C22 H15 F2 N3 O2 S2 |
| Smiles: | C(C(Nc1ccccc1F)=O)Sc1nc2ccc(cc2s1)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9488 |
| logD: | 4.9436 |
| logSw: | -4.9544 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.591 |
| InChI Key: | CJYRJCZZUFMSEL-UHFFFAOYSA-N |