3-[4-(benzyloxy)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[4-(benzyloxy)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0202 |
| Compound Name: | 3-[4-(benzyloxy)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C20 H16 N4 O2 S2 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(cc2)OCc2ccccc2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.93 |
| logD: | 4.25 |
| logSw: | -5.83 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.91 |
| InChI Key: | WSFARHXPTFXIEX-UHFFFAOYSA-N |