2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[4-(1-phenylethoxy)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[4-(1-phenylethoxy)phenyl]acrylamide
2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[4-(1-phenylethoxy)phenyl]acrylamide
Compound characteristics
| Compound ID: | C356-0038 |
| Compound Name: | 2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[4-(1-phenylethoxy)phenyl]acrylamide |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C21 H18 N4 O4 S2 |
| Smiles: | CC(c1ccccc1)Oc1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4 |
| logD: | 1.64 |
| logSw: | -4.76 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 219.29 |
| InChI Key: | WORHAHKFVGNQAZ-AWEZNQCLSA-N |