2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C508-0446 |
| Compound Name: | 2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C18 H13 N5 O4 S2 |
| Smiles: | Cc1ccc(cc1c1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.94 |
| logD: | 4.25 |
| logSw: | -5.76 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 256.42 |
| InChI Key: | RPXBUXUPWRMEEA-UHFFFAOYSA-N |