4-fluoro-N-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-fluoro-N-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-fluoro-N-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-2559 |
| Compound Name: | 4-fluoro-N-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 467.54 |
| Molecular Formula: | C23 H18 F N3 O3 S2 |
| Smiles: | COc1cccc(c1)NC(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2351 |
| logD: | 5.2299 |
| logSw: | -5.0554 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.833 |
| InChI Key: | APFYHKFYOFRSHG-UHFFFAOYSA-N |