3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0552 |
| Compound Name: | 3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 484.96 |
| Molecular Formula: | C23 H21 Cl N4 O4 S |
| Smiles: | Cc1cc(ccc1[Cl])OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(C)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.88 |
| logD: | 2.93 |
| logSw: | -5.9 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 179.53 |
| InChI Key: | XCVGQDPBUXVHQG-UHFFFAOYSA-N |