3-[4-(benzyloxy)-3-ethoxy-5-iodophenyl]-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-ethoxy-5-iodophenyl]-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[4-(benzyloxy)-3-ethoxy-5-iodophenyl]-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1485 |
| Compound Name: | 3-[4-(benzyloxy)-3-ethoxy-5-iodophenyl]-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 546.39 |
| Molecular Formula: | C22 H19 I N4 O3 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C)s2)=O)cc(c1OCc1ccccc1)I |
| Stereo: | ACHIRAL |
| logP: | 5.08 |
| logD: | 3.13 |
| logSw: | -5.96 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 150.62 |
| InChI Key: | NRJVLSXHOPVVMB-UHFFFAOYSA-N |