2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}acrylamide
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}acrylamide
Compound characteristics
| Compound ID: | C355-0590 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}acrylamide |
| Molecular Weight: | 502.54 |
| Molecular Formula: | C22 H19 F N4 O5 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccc(cc2)F)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.67 |
| logD: | 1.31 |
| logSw: | -4.8 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 209.23 |
| InChI Key: | XGWGHVBDQSSNGR-UHFFFAOYSA-N |