3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0577 |
| Compound Name: | 3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C22 H20 N4 O5 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccccc2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.76 |
| logD: | 1.41 |
| logSw: | -5 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 217.8 |
| InChI Key: | RTJUMVLXNZTFLP-UHFFFAOYSA-N |