2-cyano-3-{4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0116 |
| Compound Name: | 2-cyano-3-{4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C20 H15 F N4 O4 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(cc2)OCc2ccc(cc2)F)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.29 |
| logD: | 0.94 |
| logSw: | -4.24 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 208.47 |
| InChI Key: | IAFRJDBUKNVSAV-UHFFFAOYSA-N |