6-tert-butyl-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-tert-butyl-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
6-tert-butyl-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0313 |
| Compound Name: | 6-tert-butyl-4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C23 H25 N3 O3 |
| Smiles: | CCc1ccc(cc1)c1nc(CN2C(COc3ccc(cc23)C(C)(C)C)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.6083 |
| logD: | 5.6083 |
| logSw: | -5.3879 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | GTDBPKWYKHFGMR-UHFFFAOYSA-N |