N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(2-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(2-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyanoacrylamide
N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(2-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyanoacrylamide
Compound characteristics
Compound ID: | 5234-4045 |
Compound Name: | N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(2-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyanoacrylamide |
Molecular Weight: | 522.05 |
Molecular Formula: | C25 H20 Cl N5 O2 S2 |
Smiles: | C(COc1ccccc1[Cl])n1cccc1/C=C(/C#N)C(Nc1nc(ns1)SCc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.97 |
logD: | 5.83 |
logSw: | -6.69 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 161.52 |
InChI Key: | VDWXJLYVFPHNIG-UHFFFAOYSA-N |