4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-7-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-7-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-7-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0205 |
| Compound Name: | 4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-7-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C20 H19 N3 O3 |
| Smiles: | CCc1ccc(cc1)c1nc(CN2C(COc3cc(C)ccc23)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.5236 |
| logD: | 4.5236 |
| logSw: | -4.3819 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | LIGQTANAQWYPHP-UHFFFAOYSA-N |