N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[5-(3-chloro-4-fluorophenyl)-2-furyl]-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[5-(3-chloro-4-fluorophenyl)-2-furyl]-2-cyanoacrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[5-(3-chloro-4-fluorophenyl)-2-furyl]-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0055 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[5-(3-chloro-4-fluorophenyl)-2-furyl]-2-cyanoacrylamide |
| Molecular Weight: | 464.9 |
| Molecular Formula: | C23 H14 Cl F N4 O2 S |
| Smiles: | C(c1ccccc1)c1nnc(NC(C(=C/c2ccc(c3ccc(c(c3)[Cl])F)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.9 |
| logD: | 4.57 |
| logSw: | -6.94 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 142.7 |
| InChI Key: | YHNXKVHNRRDCGB-UHFFFAOYSA-N |