N-(6-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1,3-benzothiazol-2-yl)propanamide
Chemical Structure Depiction of
N-(6-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1,3-benzothiazol-2-yl)propanamide
N-(6-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1,3-benzothiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | F223-0741 |
| Compound Name: | N-(6-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1,3-benzothiazol-2-yl)propanamide |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C19 H19 N3 O2 S2 |
| Smiles: | CCC(Nc1nc2ccc(CC(Nc3cccc(c3)SC)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.898 |
| logD: | 3.898 |
| logSw: | -3.936 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.027 |
| InChI Key: | PMZAWYSYSKHPEX-UHFFFAOYSA-N |