6-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-ethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-ethyl-2H-1,4-benzoxazin-3(4H)-one
6-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-ethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L834-0584 |
| Compound Name: | 6-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-ethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C20 H19 N3 O3 |
| Smiles: | CCN1C(COc2ccc(cc12)c1nc(c2cc(C)cc(C)c2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1661 |
| logD: | 4.1661 |
| logSw: | -4.3177 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.47 |
| InChI Key: | NICDMHKCBKGFHU-UHFFFAOYSA-N |