3-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1399 |
| Compound Name: | 3-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 541.07 |
| Molecular Formula: | C27 H29 Cl N4 O4 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2c(C)cccc2C)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.85 |
| logD: | 4.92 |
| logSw: | -7.91 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.36 |
| InChI Key: | VUEUMAMNALAIDX-UHFFFAOYSA-N |