2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0117 |
| Compound Name: | 2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 488.51 |
| Molecular Formula: | C21 H17 F N4 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)ccc1OCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.02 |
| logD: | 0.66 |
| logSw: | -4.15 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 219.67 |
| InChI Key: | RCORGZFRXYKSHS-UHFFFAOYSA-N |