2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide
2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide
Compound characteristics
| Compound ID: | 8009-1550 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide |
| Molecular Weight: | 337.4 |
| Molecular Formula: | C18 H15 N3 O2 S |
| Smiles: | CCC(C(Nc1ccccc1C#N)=O)Sc1nc2ccccc2o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.387 |
| logD: | 4.3845 |
| logSw: | -4.3337 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.351 |
| InChI Key: | PISBOQDQIZCBJB-INIZCTEOSA-N |