N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyanoacrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0564 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyanoacrylamide |
| Molecular Weight: | 547.03 |
| Molecular Formula: | C28 H23 Cl N4 O4 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)ccc1OCCOc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.72 |
| logD: | 4.42 |
| logSw: | -6.51 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 162.72 |
| InChI Key: | KKCBQJJCONHLKO-UHFFFAOYSA-N |