N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
Chemical Structure Depiction of
N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
Compound characteristics
| Compound ID: | D336-2227 |
| Compound Name: | N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide |
| Molecular Weight: | 467.54 |
| Molecular Formula: | C23 H18 F N3 O3 S2 |
| Smiles: | C(C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)F)=O)=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1744 |
| logD: | 5.1743 |
| logSw: | -5.3485 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.575 |
| InChI Key: | PMEKRUMBHWLAQX-UHFFFAOYSA-N |