3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0696 |
| Compound Name: | 3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C18 H18 N4 O5 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(c(c2)OC)OCC=C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.88 |
| logD: | 0.53 |
| logSw: | -3.94 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 209.44 |
| InChI Key: | BZUMUXJHTYONCT-UHFFFAOYSA-N |