N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(2-hydroxy-3-methoxyphenyl)acrylamide
Chemical Structure Depiction of
N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(2-hydroxy-3-methoxyphenyl)acrylamide
N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(2-hydroxy-3-methoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | 4011-0091 |
| Compound Name: | N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(2-hydroxy-3-methoxyphenyl)acrylamide |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C19 H13 Cl N4 O3 S |
| Smiles: | COc1cccc(\C=C(/C#N)C(Nc2nnc(c3ccccc3[Cl])s2)=O)c1O |
| Stereo: | ACHIRAL |
| logP: | 4.4 |
| logD: | 4.04 |
| logSw: | -5.01 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 165.74 |
| InChI Key: | QPTHGTQIFJACDG-UHFFFAOYSA-N |