2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-{5-[(2-methylphenoxy)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-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C508-0392 |
| Compound Name: | 2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide |
| Molecular Weight: | 501.52 |
| Molecular Formula: | C25 H19 N5 O5 S |
| Smiles: | Cc1ccc(cc1c1ccc(/C=C(/C#N)C(Nc2nnc(COc3ccccc3C)s2)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.97 |
| logD: | 3.74 |
| logSw: | -7 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 230.17 |
| InChI Key: | QENACTIUYBVJSN-UHFFFAOYSA-N |