4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0401 |
| Compound Name: | 4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C21 H21 N3 O5 |
| Smiles: | CCOc1ccc(cc1OC)c1nc(CN2C(C(C)Oc3ccccc23)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5188 |
| logD: | 3.5188 |
| logSw: | -3.7096 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.256 |
| InChI Key: | CGILTNYPINMUDC-ZDUSSCGKSA-N |