2-cyano-3-{3-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4011-0808 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 556.64 |
| Molecular Formula: | C30 H28 N4 O5 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(c3ccc(C)cc3)s2)=O)ccc1OCCOc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.1 |
| logD: | 6.01 |
| logSw: | -7.08 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 181.12 |
| InChI Key: | WVTZOWPYNMJSNM-UHFFFAOYSA-N |