2-cyano-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0306 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]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: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)ccc1OCc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.51 |
| logD: | 5.35 |
| logSw: | -6.29 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 143.69 |
| InChI Key: | XTKVAVWHJTYEBD-UHFFFAOYSA-N |