4-bromo-2-({[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
4-bromo-2-({[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]imino}methyl)-6-nitrophenol
4-bromo-2-({[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]imino}methyl)-6-nitrophenol
Compound characteristics
Compound ID: | 8004-4210 |
Compound Name: | 4-bromo-2-({[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]imino}methyl)-6-nitrophenol |
Molecular Weight: | 472.68 |
Molecular Formula: | C20 H11 Br Cl N3 O4 |
Smiles: | C(\c1cc(cc(c1O)[N+]([O-])=O)[Br])=N/c1ccc2c(c1)oc(c1ccc(cc1)[Cl])n2 |
Stereo: | ACHIRAL |
logP: | 6.4528 |
logD: | 4.2776 |
logSw: | -6.3822 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.736 |
InChI Key: | QJUAHOMLDONGHQ-UHFFFAOYSA-N |