3-{4-[2-(2-allylphenoxy)ethoxy]-3-chlorophenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-allylphenoxy)ethoxy]-3-chlorophenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{4-[2-(2-allylphenoxy)ethoxy]-3-chlorophenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0389 |
| Compound Name: | 3-{4-[2-(2-allylphenoxy)ethoxy]-3-chlorophenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 545.03 |
| Molecular Formula: | C24 H21 Cl N4 O5 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(c(c2)[Cl])OCCOc2ccccc2CC=C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.74 |
| logD: | 2.39 |
| logSw: | -5.46 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 199.5 |
| InChI Key: | DGQMMAAEUIEQRU-UHFFFAOYSA-N |