4-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0388 |
| Compound Name: | 4-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 400.23 |
| Molecular Formula: | C18 H14 Br N3 O3 |
| Smiles: | CC1C(N(Cc2nc(c3cccc(c3)[Br])no2)c2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3979 |
| logD: | 4.3979 |
| logSw: | -4.4092 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.415 |
| InChI Key: | NJHHQSHPTRCGBY-LLVKDONJSA-N |