3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]phenyl}-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Chemical Structure Depiction of
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]phenyl}-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]phenyl}-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0301 |
| Compound Name: | 3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]phenyl}-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide |
| Molecular Weight: | 518.63 |
| Molecular Formula: | C28 H30 N4 O4 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(cc2)OCCOc2ccc(CC=C)cc2OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.16 |
| logD: | 4.23 |
| logSw: | -6.71 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 169.35 |
| InChI Key: | WISSNYHSZSVXPA-UHFFFAOYSA-N |