N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(3-chlorophenyl)-2-furyl]-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(3-chlorophenyl)-2-furyl]-2-cyanoacrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(3-chlorophenyl)-2-furyl]-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0010 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(3-chlorophenyl)-2-furyl]-2-cyanoacrylamide |
| Molecular Weight: | 412.9 |
| Molecular Formula: | C20 H17 Cl N4 O2 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(c3cccc(c3)[Cl])o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.98 |
| logD: | 4.03 |
| logSw: | -6.84 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 142.15 |
| InChI Key: | JAFLQHYUQOHSNK-UHFFFAOYSA-N |