2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0923 |
| Compound Name: | 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C18 H20 N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(CC(C)C)(=O)=O)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 3.18 |
| logD: | 0.83 |
| logSw: | -4.04 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 244.35 |
| InChI Key: | RTJMDQFLDBPVJA-UHFFFAOYSA-N |