4-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Chemical Structure Depiction of
4-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
4-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Compound characteristics
| Compound ID: | L834-1086 |
| Compound Name: | 4-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile |
| Molecular Weight: | 360.37 |
| Molecular Formula: | C20 H16 N4 O3 |
| Smiles: | CCCN1C(COc2ccc(cc12)c1nc(c2ccc(C#N)cc2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5849 |
| logD: | 3.5849 |
| logSw: | -3.7733 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.78 |
| InChI Key: | RFHCIDCECIBBCU-UHFFFAOYSA-N |