2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | 4277-0635 |
| Compound Name: | 2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2cccc(C)c2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.71 |
| logD: | 3.77 |
| logSw: | -6.36 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 169.81 |
| InChI Key: | MDRCMWKRHWVWQT-UHFFFAOYSA-N |