2-methyl-N-(6-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1,3-benzothiazol-2-yl)propanamide
Chemical Structure Depiction of
2-methyl-N-(6-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1,3-benzothiazol-2-yl)propanamide
2-methyl-N-(6-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1,3-benzothiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | F223-1253 |
| Compound Name: | 2-methyl-N-(6-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1,3-benzothiazol-2-yl)propanamide |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C20 H21 N3 O2 S2 |
| Smiles: | CC(C)C(Nc1nc2ccc(CC(Nc3cccc(c3)SC)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5386 |
| logD: | 4.5386 |
| logSw: | -4.3241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.24 |
| InChI Key: | AVUDAPBETXCTFE-UHFFFAOYSA-N |