2-cyano-3-{3-ethoxy-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{3-ethoxy-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5139 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C28 H32 N4 O4 S |
| Smiles: | CCc1nnc(NC(C(=C/c2ccc(c(c2)OCC)OCCOc2cc(C)ccc2C(C)C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.23 |
| logD: | 4.3 |
| logSw: | -7.21 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 155.14 |
| InChI Key: | PQXLKTFRBHOUSA-UHFFFAOYSA-N |