N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]acrylamide
Chemical Structure Depiction of
N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]acrylamide
N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0487 |
| Compound Name: | N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]acrylamide |
| Molecular Weight: | 494.68 |
| Molecular Formula: | C26 H30 N4 O2 S2 |
| Smiles: | C1CCC(CC1)Sc1ccc(/C=C(/C#N)C(Nc2nnc(C34CC5CC(CC(C5)C4)C3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 8.13 |
| logD: | 6.22 |
| logSw: | -8.08 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 185.76 |
| InChI Key: | LCRWEKSIZYAVJV-UHFFFAOYSA-N |