2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide
2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide
Compound characteristics
| Compound ID: | 3537-5138 |
| Compound Name: | 2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C27 H30 N4 O4 S |
| Smiles: | CCc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2cc(C)ccc2C(C)C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.08 |
| logD: | 4.15 |
| logSw: | -6.96 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 162.92 |
| InChI Key: | XTFQJKCZWDQRGP-UHFFFAOYSA-N |