3-[3-allyl-4-(benzyloxy)-5-methoxyphenyl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[3-allyl-4-(benzyloxy)-5-methoxyphenyl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[3-allyl-4-(benzyloxy)-5-methoxyphenyl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0392 |
| Compound Name: | 3-[3-allyl-4-(benzyloxy)-5-methoxyphenyl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C24 H22 N4 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)cc(CC=C)c1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.31 |
| logD: | 1.96 |
| logSw: | -5.07 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 203.78 |
| InChI Key: | OTETXITXGRWWRU-UHFFFAOYSA-N |