N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0500 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 471.49 |
| Molecular Formula: | C24 H17 N5 O4 S |
| Smiles: | Cc1ccc(cc1c1ccc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.69 |
| logD: | 4.37 |
| logSw: | -6.44 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 221.07 |
| InChI Key: | OEGYTFCLHRUGNC-UHFFFAOYSA-N |