6-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-4-ethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-4-ethyl-2H-1,4-benzoxazin-3(4H)-one
6-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-4-ethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L834-0581 |
| Compound Name: | 6-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-4-ethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C21 H21 N3 O5 |
| Smiles: | CCN1C(COc2ccc(cc12)c1nc(Cc2ccc(c(c2)OC)OC)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1478 |
| logD: | 3.1478 |
| logSw: | -3.2434 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.397 |
| InChI Key: | VUPTWHYTGMVTSY-UHFFFAOYSA-N |