2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-1157 |
| Compound Name: | 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C17 H18 N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C(C)C)(=O)=O)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 2.65 |
| logD: | 0.3 |
| logSw: | -3.92 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 242.63 |
| InChI Key: | KOFFHBIZWQYSSD-UHFFFAOYSA-N |