2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
Compound characteristics
Compound ID: | C508-0419 |
Compound Name: | 2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide |
Molecular Weight: | 501.52 |
Molecular Formula: | C25 H19 N5 O5 S |
Smiles: | Cc1cccc(c1)OCc1nnc(NC(C(=C/c2ccc(c3cc(ccc3C)[N+]([O-])=O)o2)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 5.99 |
logD: | 3.76 |
logSw: | -7.06 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 229.27 |
InChI Key: | UXNBBPMXGSUXAW-UHFFFAOYSA-N |