N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[5-(3-chloro-4-methylphenyl)-2-furyl]-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[5-(3-chloro-4-methylphenyl)-2-furyl]-2-cyanoacrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[5-(3-chloro-4-methylphenyl)-2-furyl]-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0044 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[5-(3-chloro-4-methylphenyl)-2-furyl]-2-cyanoacrylamide |
| Molecular Weight: | 460.94 |
| Molecular Formula: | C24 H17 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])c1ccc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.56 |
| logD: | 5.23 |
| logSw: | -7.5 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 139.87 |
| InChI Key: | FHRRLAWPFBOFTI-UHFFFAOYSA-N |