tert-butyl {3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1(6H)-yl}acetate
Chemical Structure Depiction of
tert-butyl {3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1(6H)-yl}acetate
tert-butyl {3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1(6H)-yl}acetate
Compound characteristics
| Compound ID: | P040-0403 |
| Compound Name: | tert-butyl {3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1(6H)-yl}acetate |
| Molecular Weight: | 388.81 |
| Molecular Formula: | C18 H17 Cl N4 O4 |
| Smiles: | CC(C)(C)OC(CN1C(C=CC(c2nc(c3ccc(cc3)[Cl])no2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9194 |
| logD: | 3.9194 |
| logSw: | -4.5142 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.765 |
| InChI Key: | DNZOTJMVQFNLJE-UHFFFAOYSA-N |