2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C508-0239 |
| Compound Name: | 2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 395.39 |
| Molecular Formula: | C18 H13 N5 O4 S |
| Smiles: | Cc1ccc(cc1c1ccc(/C=C(/C#N)C(Nc2nnc(C)s2)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9 |
| logD: | 1.93 |
| logSw: | -4.75 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 231.5 |
| InChI Key: | GLRXFXHDKKABPG-UHFFFAOYSA-N |