4-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-tert-butyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-tert-butyl-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-tert-butyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0291 |
| Compound Name: | 4-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-6-tert-butyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 442.31 |
| Molecular Formula: | C21 H20 Br N3 O3 |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(Cc1nc(c3ccc(cc3)[Br])no1)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5115 |
| logD: | 5.5115 |
| logSw: | -5.4214 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | IJAXONFTZVMDDK-UHFFFAOYSA-N |