2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C508-0230 |
| Compound Name: | 2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 381.37 |
| Molecular Formula: | C17 H11 N5 O4 S |
| Smiles: | Cc1ccc(cc1c1ccc(/C=C(/C#N)C(Nc2nncs2)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.58 |
| logD: | 2.64 |
| logSw: | -4.37 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 228.69 |
| InChI Key: | PYJQEOFIGBDFOZ-UHFFFAOYSA-N |