2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(1-phenylethoxy)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(1-phenylethoxy)phenyl]acrylamide
2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(1-phenylethoxy)phenyl]acrylamide
Compound characteristics
| Compound ID: | C355-0038 |
| Compound Name: | 2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-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(Nc2nc(ns2)S(C)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.87 |
| logD: | 1.52 |
| logSw: | -4.68 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 209.79 |
| InChI Key: | AIEFKRCDGHATLZ-AWEZNQCLSA-N |