2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C508-0707 |
| Compound Name: | 2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C18 H13 N5 O6 S2 |
| Smiles: | Cc1ccc(cc1c1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4 |
| logD: | 1.03 |
| logSw: | -4.21 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 296.56 |
| InChI Key: | RBIFMNYFPIDHPH-UHFFFAOYSA-N |