N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(morpholine-4-carbonyl)benzamide
Chemical Structure Depiction of
N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(morpholine-4-carbonyl)benzamide
N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(morpholine-4-carbonyl)benzamide
Compound characteristics
| Compound ID: | 3102-0020 |
| Compound Name: | N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(morpholine-4-carbonyl)benzamide |
| Molecular Weight: | 550.63 |
| Molecular Formula: | C27 H23 F N4 O4 S2 |
| Smiles: | C1COCCN1C(c1ccccc1C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9401 |
| logD: | 3.9399 |
| logSw: | -4.01 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.846 |
| InChI Key: | IFKPDPDWTOJUOJ-UHFFFAOYSA-N |