2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5131 |
| Compound Name: | 2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Smiles: | CCc1nnc(NC(C(=C/c2ccc(c(c2)OCC)OCCOc2ccc(C)c(C)c2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.55 |
| logD: | 3.62 |
| logSw: | -6.23 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 163.64 |
| InChI Key: | NWKKAOYNQQSLBR-UHFFFAOYSA-N |