2-cyano-3-{4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0445 |
| Compound Name: | 2-cyano-3-{4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C26 H28 N4 O3 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(cc2)OCCOc2c(C)cccc2C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.29 |
| logD: | 4.36 |
| logSw: | -7.33 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 161.17 |
| InChI Key: | VSIVADRZXWDPJP-UHFFFAOYSA-N |