2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide
Compound characteristics
| Compound ID: | 3396-0055 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide |
| Molecular Weight: | 353.46 |
| Molecular Formula: | C18 H15 N3 O S2 |
| Smiles: | CCC(C(Nc1ccccc1C#N)=O)Sc1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9204 |
| logD: | 4.918 |
| logSw: | -4.5428 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.77 |
| InChI Key: | BJLMZZTXIJCKAC-HNNXBMFYSA-N |