3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-ethoxyphenyl}-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-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1045 |
| Compound Name: | 3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 520.61 |
| Molecular Formula: | C27 H28 N4 O5 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C)s2)=O)ccc1OCCOc1ccc(CC=C)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.22 |
| logD: | 2.27 |
| logSw: | -5.18 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.5 |
| InChI Key: | ZGXRYEJCHBKZKM-UHFFFAOYSA-N |