N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(4-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-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyanoacrylamide
N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 5234-4046 |
| Compound Name: | N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyanoacrylamide |
| Molecular Weight: | 522.05 |
| Molecular Formula: | C25 H20 Cl N5 O2 S2 |
| Smiles: | C(COc1ccc(cc1)[Cl])n1cccc1/C=C(/C#N)C(Nc1nc(ns1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.23 |
| logD: | 6.09 |
| logSw: | -6.59 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 166.33 |
| InChI Key: | BHYRVIAJUREZKR-UHFFFAOYSA-N |