N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyanoacrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0101 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyanoacrylamide |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C24 H23 Cl N4 O3 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccccc2[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.83 |
| logD: | 3.9 |
| logSw: | -6.54 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 158.85 |
| InChI Key: | JPMPHLFFESBOLX-UHFFFAOYSA-N |