N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyanoacrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0364 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl}-2-cyanoacrylamide |
| Molecular Weight: | 527.04 |
| Molecular Formula: | C26 H27 Cl N4 O4 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2ccc(c(C)c2)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.62 |
| logD: | 4.69 |
| logSw: | -7.22 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 171.51 |
| InChI Key: | HULRYQJLVFOOBV-UHFFFAOYSA-N |