3-({3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1(6H)-yl}methyl)benzonitrile
Chemical Structure Depiction of
3-({3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1(6H)-yl}methyl)benzonitrile
3-({3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1(6H)-yl}methyl)benzonitrile
Compound characteristics
Compound ID: | P040-0404 |
Compound Name: | 3-({3-[3-(4-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(c3ccc(cc3)[Cl])no2)=N1)=O |
Stereo: | ACHIRAL |
logP: | 4.0217 |
logD: | 4.0217 |
logSw: | -4.5975 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 77.281 |
InChI Key: | ATNGOOUMDZQZTR-UHFFFAOYSA-N |