3-{4-[2-(2-allylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-allylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[2-(2-allylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0024 |
| Compound Name: | 3-{4-[2-(2-allylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 540.62 |
| Molecular Formula: | C25 H24 N4 O6 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)ccc1OCCOc1ccccc1CC=C |
| Stereo: | ACHIRAL |
| logP: | 4.05 |
| logD: | 1.7 |
| logSw: | -5.21 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 229.01 |
| InChI Key: | ANYFNJCKUKURJC-UHFFFAOYSA-N |