2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4011-0101 |
| Compound Name: | 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(COc3ccccc3)s2)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 3.75 |
| logD: | 1.53 |
| logSw: | -4.43 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 195.5 |
| InChI Key: | IIABHKYKUGBRSY-UHFFFAOYSA-N |