3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0595 |
| Compound Name: | 3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 519 |
| Molecular Formula: | C22 H19 Cl N4 O5 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccccc2[Cl])\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.11 |
| logD: | 1.76 |
| logSw: | -5.13 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 211.98 |
| InChI Key: | IQQWRAZPPRCISO-UHFFFAOYSA-N |