2-cyano-3-(4-isopropylphenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-isopropylphenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(4-isopropylphenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0078 |
| Compound Name: | 2-cyano-3-(4-isopropylphenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 376.45 |
| Molecular Formula: | C16 H16 N4 O3 S2 |
| Smiles: | CC(C)c1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.31 |
| logD: | 0.96 |
| logSw: | -4.13 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 216.5 |
| InChI Key: | JBKJRFFKHLUZQX-UHFFFAOYSA-N |