N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0495 |
| Compound Name: | N~1~-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C27 H25 N5 O5 S |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C(/C#N)C(Nc2nnc(C34CC5CC(CC(C5)C4)C3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 7.05 |
| logD: | 5.15 |
| logSw: | -7.95 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 219.19 |
| InChI Key: | XANXEQXMZFAUSP-UHFFFAOYSA-N |