N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | 4272-0082 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C26 H28 N4 O3 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cccc(c2)OCCOc2cc(C)cc(C)c2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.54 |
| logD: | 4.61 |
| logSw: | -7.07 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 171.31 |
| InChI Key: | CLSSCTAIJPRXBD-UHFFFAOYSA-N |