N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | D336-2214 |
| Compound Name: | N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C19 H18 F N3 O2 S2 |
| Smiles: | CCCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5239 |
| logD: | 4.5238 |
| logSw: | -4.3105 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.347 |
| InChI Key: | MODBVXIYZXXSKD-UHFFFAOYSA-N |