2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C508-0257 |
| Compound Name: | 2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C20 H17 N5 O4 S |
| Smiles: | CCCc1nnc(NC(C(=C/c2ccc(c3cc(ccc3C)[N+]([O-])=O)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2 |
| logD: | 3.25 |
| logSw: | -6.14 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 225.04 |
| InChI Key: | ZVWGOIBLBCLKKK-UHFFFAOYSA-N |