2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide
Compound characteristics
| Compound ID: | 4011-0699 |
| Compound Name: | 2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide |
| Molecular Weight: | 546.69 |
| Molecular Formula: | C30 H34 N4 O4 S |
| Smiles: | CCc1cc(C)cc(c1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(C3CCCCC3)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 7.28 |
| logD: | 5.37 |
| logSw: | -7.47 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.68 |
| InChI Key: | ZGWUYNKPCNTZBE-UHFFFAOYSA-N |