3-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0113 |
| Compound Name: | 3-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 522.96 |
| Molecular Formula: | C21 H16 Cl F N4 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc(c1OCc1ccccc1F)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.24 |
| logD: | 1.89 |
| logSw: | -5.18 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 217.85 |
| InChI Key: | XNIVFFGAIKZACM-UHFFFAOYSA-N |