3-({3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1(6H)-yl}methyl)benzonitrile
Chemical Structure Depiction of
3-({3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1(6H)-yl}methyl)benzonitrile
3-({3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1(6H)-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | P040-0359 |
| Compound Name: | 3-({3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1(6H)-yl}methyl)benzonitrile |
| Molecular Weight: | 389.8 |
| Molecular Formula: | C20 H12 Cl N5 O2 |
| Smiles: | C(c1cccc(C#N)c1)N1C(C=CC(c2nc(c3cccc(c3)[Cl])no2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.088 |
| logD: | 4.088 |
| logSw: | -4.5154 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 77.281 |
| InChI Key: | QPGCVBAEWMJTIN-UHFFFAOYSA-N |