4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0421 |
| Compound Name: | 4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C20 H19 N3 O3 |
| Smiles: | CCc1ccc(cc1)c1nc(CN2C(C(C)Oc3ccccc23)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4814 |
| logD: | 4.4814 |
| logSw: | -4.3992 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.415 |
| InChI Key: | VOZHBZSLAQVWCB-ZDUSSCGKSA-N |