4-[3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Chemical Structure Depiction of
4-[3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
4-[3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Compound characteristics
| Compound ID: | L834-0573 |
| Compound Name: | 4-[3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile |
| Molecular Weight: | 346.34 |
| Molecular Formula: | C19 H14 N4 O3 |
| Smiles: | CCN1C(COc2ccc(cc12)c1nc(c2ccc(C#N)cc2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1737 |
| logD: | 3.1737 |
| logSw: | -3.3534 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.526 |
| InChI Key: | TWKMIEFUIJZWJF-UHFFFAOYSA-N |