3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-1412 |
| Compound Name: | 3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 517.02 |
| Molecular Formula: | C23 H21 Cl N4 O4 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2ccccc2[Cl])\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.37 |
| logD: | 4.7 |
| logSw: | -6.24 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 194.74 |
| InChI Key: | KPABYGOMIUNLSY-UHFFFAOYSA-N |