2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)acrylamide
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)acrylamide
Compound characteristics
| Compound ID: | 4011-0063 |
| Compound Name: | 2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)acrylamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C3CCCCC3)s2)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.32 |
| logD: | 2.41 |
| logSw: | -4.81 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 185.6 |
| InChI Key: | NKHDCVGKJVDRCK-UHFFFAOYSA-N |