3-{[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-oxopyridazin-1(6H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-oxopyridazin-1(6H)-yl]methyl}benzonitrile
3-{[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-oxopyridazin-1(6H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | P040-0873 |
| Compound Name: | 3-{[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-oxopyridazin-1(6H)-yl]methyl}benzonitrile |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C18 H17 N5 O2 |
| Smiles: | CC(C)(C)c1nc(C2C=CC(N(Cc3cccc(C#N)c3)N=2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.9715 |
| logD: | 2.9715 |
| logSw: | -3.1878 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 77.553 |
| InChI Key: | CWCZNOCTNVOVOR-UHFFFAOYSA-N |