3-{3-chloro-4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{3-chloro-4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0400 |
| Compound Name: | 3-{3-chloro-4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 509.39 |
| Molecular Formula: | C20 H14 Cl2 N4 O4 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(c(c2)[Cl])OCc2ccccc2[Cl])\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4 |
| logD: | 2.05 |
| logSw: | -5.04 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 211.91 |
| InChI Key: | UONJXZBHUNNNCQ-UHFFFAOYSA-N |