3-{3-[2-(4-allyl-2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-[2-(4-allyl-2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-[2-(4-allyl-2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0440 |
| Compound Name: | 3-{3-[2-(4-allyl-2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | Cc1nnc(NC(C(=C/c2cccc(c2)OCCOc2ccc(CC=C)cc2OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.39 |
| logD: | 2.44 |
| logSw: | -5.16 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 179.08 |
| InChI Key: | DUBZDEVIYQDAAA-UHFFFAOYSA-N |