4-{3-[2,3-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}benzonitrile
Chemical Structure Depiction of
4-{3-[2,3-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}benzonitrile
4-{3-[2,3-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}benzonitrile
Compound characteristics
| Compound ID: | F542-0339 |
| Compound Name: | 4-{3-[2,3-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}benzonitrile |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C20 H15 N5 O3 |
| Smiles: | CC(C)N1C(C(Nc2cc(ccc12)c1nc(c2ccc(C#N)cc2)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5136 |
| logD: | 3.4955 |
| logSw: | -3.8961 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.752 |
| InChI Key: | RCJPKKQSPOTLPZ-UHFFFAOYSA-N |