2-cyano-3-{4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4277-1143 |
| Compound Name: | 2-cyano-3-{4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 526.61 |
| Molecular Formula: | C29 H26 N4 O4 S |
| Smiles: | Cc1ccc(c(C)c1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(COc3ccccc3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.57 |
| logD: | 4.36 |
| logSw: | -7.28 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 164.78 |
| InChI Key: | CGIMIGQCTRYCDP-UHFFFAOYSA-N |