3-{3-chloro-4-[2-(4-chlorophenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[2-(4-chlorophenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{3-chloro-4-[2-(4-chlorophenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0388 |
| Compound Name: | 3-{3-chloro-4-[2-(4-chlorophenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 539.41 |
| Molecular Formula: | C21 H16 Cl2 N4 O5 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(c(c2)[Cl])OCCOc2ccc(cc2)[Cl])\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.51 |
| logD: | 2.16 |
| logSw: | -5.13 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 223.01 |
| InChI Key: | LIUNFZNXCQPEKC-UHFFFAOYSA-N |