N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(4-oxo-4H-chromen-3-yl)acrylamide
Chemical Structure Depiction of
N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(4-oxo-4H-chromen-3-yl)acrylamide
N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(4-oxo-4H-chromen-3-yl)acrylamide
Compound characteristics
| Compound ID: | C679-2010 |
| Compound Name: | N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(4-oxo-4H-chromen-3-yl)acrylamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1nnc(NC(C(=C/C2=COc3ccccc3C2=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.53 |
| logD: | 2.15 |
| logSw: | -6.65 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 164.47 |
| InChI Key: | KINPLLWALMVGNF-UHFFFAOYSA-N |