3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-1258 |
| Compound Name: | 3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C19 H20 N4 O5 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(c(c2)OC)OCC=C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.33 |
| logD: | 0.98 |
| logSw: | -4.09 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 212.43 |
| InChI Key: | XUOVPFDRYVNYKI-UHFFFAOYSA-N |