2-cyano-3-{3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0166 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 530.58 |
| Molecular Formula: | C23 H22 N4 O7 S2 |
| Smiles: | COc1ccc(cc1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.08 |
| logD: | 0.73 |
| logSw: | -3.98 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 258.12 |
| InChI Key: | HIBUFUJFUSTLPD-UHFFFAOYSA-N |