3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0828 |
| Compound Name: | 3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 506.58 |
| Molecular Formula: | C26 H26 N4 O5 S |
| Smiles: | Cc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2ccc(CC=C)cc2OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.08 |
| logD: | 2.13 |
| logSw: | -5.16 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 184.27 |
| InChI Key: | GVYGOSUALLWIBK-UHFFFAOYSA-N |