N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-[1-(4-fluorobenzyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-[1-(4-fluorobenzyl)-1H-pyrrol-2-yl]acrylamide
N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-[1-(4-fluorobenzyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 5234-2341 |
| Compound Name: | N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-[1-(4-fluorobenzyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C24 H18 F N5 O S2 |
| Smiles: | C(c1ccc(cc1)F)n1cccc1/C=C(/C#N)C(Nc1nc(ns1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.46 |
| logD: | 5.32 |
| logSw: | -6.29 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 162.23 |
| InChI Key: | UORIBKNJPCFKSJ-UYRXBGFRSA-N |