3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0595 |
| Compound Name: | 3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 519 |
| Molecular Formula: | C22 H19 Cl N4 O5 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccccc2[Cl])\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.24 |
| logD: | 1.88 |
| logSw: | -5.11 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 221.48 |
| InChI Key: | DIMACLNSTAHUHW-UHFFFAOYSA-N |