2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0839 |
| Compound Name: | 2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C27 H30 N4 O4 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2cc(C)cc(C)c2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.1 |
| logD: | 4.17 |
| logSw: | -7.06 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 177.14 |
| InChI Key: | SKBBDPUFBXZNKQ-UHFFFAOYSA-N |