N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(4-oxo-4H-chromen-3-yl)acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(4-oxo-4H-chromen-3-yl)acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(4-oxo-4H-chromen-3-yl)acrylamide
Compound characteristics
| Compound ID: | C679-2011 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(4-oxo-4H-chromen-3-yl)acrylamide |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C22 H14 N4 O3 S |
| Smiles: | C(c1ccccc1)c1nnc(NC(C(=C/C2=COc3ccccc3C2=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.85 |
| logD: | 1.07 |
| logSw: | -4.66 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 172.12 |
| InChI Key: | MSALPDVQBDXJBY-UHFFFAOYSA-N |