2-cyano-3-{4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0229 |
| Compound Name: | 2-cyano-3-{4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C20 H15 F N4 O2 S2 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(cc2)OCc2ccc(cc2)F)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.96 |
| logD: | 4.28 |
| logSw: | -6.05 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 177.84 |
| InChI Key: | AJSMGTGFYPQWGU-UHFFFAOYSA-N |