2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-pentyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-pentyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-pentyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C508-0275 |
| Compound Name: | 2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-(5-pentyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | CCCCCc1nnc(NC(C(=C/c2ccc(c3cc(ccc3C)[N+]([O-])=O)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.2 |
| logD: | 4.25 |
| logSw: | -6.88 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 222.93 |
| InChI Key: | OKNUNMBBHPRUFU-UHFFFAOYSA-N |