2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(3-methylphenyl)-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-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C508-0338 |
| Compound Name: | 2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 471.49 |
| Molecular Formula: | C24 H17 N5 O4 S |
| Smiles: | Cc1cccc(c1)c1nnc(NC(C(=C/c2ccc(c3cc(ccc3C)[N+]([O-])=O)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.14 |
| logD: | 6.04 |
| logSw: | -7.23 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 216.68 |
| InChI Key: | BVFWSMMDBWSEAO-UHFFFAOYSA-N |