N-(1,3-benzothiazol-2-yl)-3-[5-(benzylsulfanyl)furan-2-yl]-2-cyanoprop-2-enamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-3-[5-(benzylsulfanyl)furan-2-yl]-2-cyanoprop-2-enamide
N-(1,3-benzothiazol-2-yl)-3-[5-(benzylsulfanyl)furan-2-yl]-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | C639-0252 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-3-[5-(benzylsulfanyl)furan-2-yl]-2-cyanoprop-2-enamide |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C22 H15 N3 O2 S2 |
| Smiles: | C(c1ccccc1)Sc1ccc(\C=C(/C#N)C(Nc2nc3ccccc3s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.7749 |
| logD: | 5.7436 |
| logSw: | -5.8405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.938 |
| InChI Key: | PVWQPMYFWPRKIL-UHFFFAOYSA-N |