3-[3-allyl-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[3-allyl-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[3-allyl-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0380 |
| Compound Name: | 3-[3-allyl-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 540.62 |
| Molecular Formula: | C25 H24 N4 O6 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc(CC=C)c1OCCOc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.24 |
| logD: | 1.88 |
| logSw: | -4.99 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 234.31 |
| InChI Key: | LCBOCSBSUCLKNE-UHFFFAOYSA-N |