N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyanoacrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0266 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyanoacrylamide |
| Molecular Weight: | 513.01 |
| Molecular Formula: | C25 H25 Cl N4 O4 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2ccccc2[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.68 |
| logD: | 3.74 |
| logSw: | -6.48 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.14 |
| InChI Key: | ZUNPBEFOQOEGRN-UHFFFAOYSA-N |