3-{4-[2-(2-chlorophenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-chlorophenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[2-(2-chlorophenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0273 |
| Compound Name: | 3-{4-[2-(2-chlorophenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 495.99 |
| Molecular Formula: | C24 H22 Cl N5 O3 S |
| Smiles: | C1CCN(C1)c1nnc(NC(C(=C/c2ccc(cc2)OCCOc2ccccc2[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.32 |
| logD: | 5.17 |
| logSw: | -6.19 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 160.05 |
| InChI Key: | LQRYQXYWZBBYTG-UHFFFAOYSA-N |