2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0015 |
| Compound Name: | 2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | Cc1ccc(cc1C)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.03 |
| logD: | 5.87 |
| logSw: | -6.71 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 164.33 |
| InChI Key: | MCIUXRZPJLOGGO-UHFFFAOYSA-N |