3-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-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-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0587 |
| Compound Name: | 3-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 536.99 |
| Molecular Formula: | C22 H18 Cl F N4 O5 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCc2ccccc2F)OC)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9 |
| logD: | 2.54 |
| logSw: | -6.08 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 207.41 |
| InChI Key: | QNZHXEWELYGKQZ-UHFFFAOYSA-N |