4-({5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-({5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
4-({5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F621-0127 |
| Compound Name: | 4-({5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C22 H23 N3 O5 |
| Smiles: | CCOc1ccc(Cc2nc(CN3C(COc4ccccc34)=O)no2)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.7545 |
| logD: | 2.7545 |
| logSw: | -3.1238 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.822 |
| InChI Key: | YUVPWNDNUAFNCK-UHFFFAOYSA-N |