2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-{3-iodo-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-{3-iodo-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-{3-iodo-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | 3537-5155 |
| Compound Name: | 2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-{3-iodo-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 590.44 |
| Molecular Formula: | C24 H23 I N4 O4 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(c(c(c2)I)OCCOc2cccc(C)c2)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.89 |
| logD: | 3.96 |
| logSw: | -6.83 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 166.03 |
| InChI Key: | KHNMVBXZHBDHLV-UHFFFAOYSA-N |