3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-1559 |
| Compound Name: | 3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C18 H18 N4 O3 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(c(c2)OC)OCC=C)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.3 |
| logD: | 3.62 |
| logSw: | -5.07 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 185.92 |
| InChI Key: | YESFERHCKVZGNO-UHFFFAOYSA-N |