4-[3-(1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Chemical Structure Depiction of
4-[3-(1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
4-[3-(1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Compound characteristics
| Compound ID: | F542-0045 |
| Compound Name: | 4-[3-(1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile |
| Molecular Weight: | 345.32 |
| Molecular Formula: | C18 H11 N5 O3 |
| Smiles: | CN1C(C(Nc2cc(ccc12)c1nc(c2ccc(C#N)cc2)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5721 |
| logD: | 2.5523 |
| logSw: | -3.2038 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.797 |
| InChI Key: | VBYXRFIZPJBAIV-UHFFFAOYSA-N |