2-cyano-3-(4-ethylphenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-ethylphenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(4-ethylphenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0231 |
| Compound Name: | 2-cyano-3-(4-ethylphenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C15 H14 N4 O3 S2 |
| Smiles: | CCc1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9 |
| logD: | 0.55 |
| logSw: | -3.94 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 214.33 |
| InChI Key: | CSJDCMBHIYXDBE-UHFFFAOYSA-N |