6-{5-[2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{5-[2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one
6-{5-[2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L834-1105 |
| Compound Name: | 6-{5-[2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C22 H21 N3 O3 |
| Smiles: | CCCN1C(COc2ccc(cc12)c1nc(/C=C/c2ccc(C)cc2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0941 |
| logD: | 5.0941 |
| logSw: | -4.983 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.39 |
| InChI Key: | LMKNPCZBMDBWAA-UHFFFAOYSA-N |