6-tert-butyl-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-tert-butyl-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
6-tert-butyl-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0293 |
| Compound Name: | 6-tert-butyl-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C24 H27 N3 O5 |
| Smiles: | CCOc1ccc(cc1OC)c1nc(CN2C(COc3ccc(cc23)C(C)(C)C)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.6457 |
| logD: | 4.6457 |
| logSw: | -4.512 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.252 |
| InChI Key: | KEQDBFIVDIKEIV-UHFFFAOYSA-N |