3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Chemical Structure Depiction of
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0576 |
| Compound Name: | 3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide |
| Molecular Weight: | 548.66 |
| Molecular Formula: | C29 H32 N4 O5 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2ccc(CC=C)cc2OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.82 |
| logD: | 3.89 |
| logSw: | -6.41 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.25 |
| InChI Key: | GVUCPRQJNNAPGF-UHFFFAOYSA-N |