4-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0021 |
| Compound Name: | 4-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 386.2 |
| Molecular Formula: | C17 H12 Br N3 O3 |
| Smiles: | C(c1nc(c2ccc(cc2)[Br])no1)N1C(COc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8772 |
| logD: | 3.8772 |
| logSw: | -4.2481 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | XQEQQKRTVVPBDA-UHFFFAOYSA-N |