4-{3-[1-(2-methylpropyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}benzonitrile
Chemical Structure Depiction of
4-{3-[1-(2-methylpropyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}benzonitrile
4-{3-[1-(2-methylpropyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}benzonitrile
Compound characteristics
| Compound ID: | F542-0795 |
| Compound Name: | 4-{3-[1-(2-methylpropyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}benzonitrile |
| Molecular Weight: | 387.4 |
| Molecular Formula: | C21 H17 N5 O3 |
| Smiles: | CC(C)CN1C(C(Nc2cc(ccc12)c1nc(c2ccc(C#N)cc2)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1071 |
| logD: | 4.0881 |
| logSw: | -4.1897 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.032 |
| InChI Key: | OHEOSRVDPVUOTF-UHFFFAOYSA-N |