2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C508-0594 |
| Compound Name: | 2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 475.46 |
| Molecular Formula: | C18 H13 N5 O7 S2 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.95 |
| logD: | 0.58 |
| logSw: | -4.1 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 292.83 |
| InChI Key: | NGGRIUWAVYGSSE-UHFFFAOYSA-N |