N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-fluorobenzamide
Chemical Structure Depiction of
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-fluorobenzamide
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-fluorobenzamide
Compound characteristics
| Compound ID: | D336-1871 |
| Compound Name: | N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-fluorobenzamide |
| Molecular Weight: | 437.51 |
| Molecular Formula: | C22 H16 F N3 O2 S2 |
| Smiles: | C(C(Nc1ccccc1)=O)Sc1nc2ccc(cc2s1)NC(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9308 |
| logD: | 4.9256 |
| logSw: | -4.84 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.289 |
| InChI Key: | XYKVOHCTGVAQMC-UHFFFAOYSA-N |