2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0090 |
| Compound Name: | 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C14 H12 N4 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 1.03 |
| logD: | -1.32 |
| logSw: | -2.64 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 253.89 |
| InChI Key: | SJNINDPPBNDQMZ-UHFFFAOYSA-N |