2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]-N~1~-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]-N~1~-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]-N~1~-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C508-0423 |
| Compound Name: | 2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]-N~1~-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide |
| Molecular Weight: | 517.52 |
| Molecular Formula: | C25 H19 N5 O6 S |
| Smiles: | Cc1cccc(c1)OCc1nnc(NC(C(=C/c2ccc(c3ccc(cc3[N+]([O-])=O)OC)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.67 |
| logD: | 3.44 |
| logSw: | -6.52 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 235.04 |
| InChI Key: | FOMBBKDWOQDTLU-UHFFFAOYSA-N |