N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]acrylamide
Compound characteristics
| Compound ID: | 4272-0244 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]acrylamide |
| Molecular Weight: | 512.59 |
| Molecular Formula: | C28 H24 N4 O4 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)ccc1OCCOc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.36 |
| logD: | 4.06 |
| logSw: | -6.17 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 169.95 |
| InChI Key: | FRXZEBCUGVVEPW-UHFFFAOYSA-N |