2-cyano-3-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0621 |
| Compound Name: | 2-cyano-3-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 542.63 |
| Molecular Formula: | C25 H26 N4 O6 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2c(C)cccc2C)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.49 |
| logD: | 2.14 |
| logSw: | -5.01 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 230.06 |
| InChI Key: | PKGDHMIZBJLNGY-UHFFFAOYSA-N |