N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-{1-[3-(3-methylphenoxy)propyl]-1H-pyrrol-2-yl}acrylamide
Chemical Structure Depiction of
N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-{1-[3-(3-methylphenoxy)propyl]-1H-pyrrol-2-yl}acrylamide
N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-{1-[3-(3-methylphenoxy)propyl]-1H-pyrrol-2-yl}acrylamide
Compound characteristics
| Compound ID: | 5234-3829 |
| Compound Name: | N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-{1-[3-(3-methylphenoxy)propyl]-1H-pyrrol-2-yl}acrylamide |
| Molecular Weight: | 515.66 |
| Molecular Formula: | C27 H25 N5 O2 S2 |
| Smiles: | Cc1cccc(c1)OCCCn1cccc1/C=C(/C#N)C(Nc1nc(ns1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.47 |
| logD: | 6.33 |
| logSw: | -6.72 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 168.82 |
| InChI Key: | BAEUYDIDKJGIJM-UHFFFAOYSA-N |