N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methoxybenzamide
Chemical Structure Depiction of
N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methoxybenzamide
N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | D336-2172 |
| Compound Name: | N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methoxybenzamide |
| Molecular Weight: | 467.54 |
| Molecular Formula: | C23 H18 F N3 O3 S2 |
| Smiles: | COc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9021 |
| logD: | 4.9018 |
| logSw: | -4.6328 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.135 |
| InChI Key: | DDZXFICFNCJMPQ-UHFFFAOYSA-N |