2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{3-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{3-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{3-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | 4277-0341 |
| Compound Name: | 2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{3-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cccc(c2)OCCOc2cccc(C)c2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.02 |
| logD: | 4.09 |
| logSw: | -6.99 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 164.62 |
| InChI Key: | DDSLYWQIFCEXED-UHFFFAOYSA-N |