2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-4H-chromen-3-yl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-4H-chromen-3-yl)acrylamide
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-4H-chromen-3-yl)acrylamide
Compound characteristics
| Compound ID: | C679-2012 |
| Compound Name: | 2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-4H-chromen-3-yl)acrylamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | C1CCC(CC1)c1nnc(NC(C(=C/C2=COc3ccccc3C2=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2 |
| logD: | 0.8 |
| logSw: | -5.02 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 173.62 |
| InChI Key: | CGGMTKUKTIQXOK-UHFFFAOYSA-N |