4-({[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-2,6-dinitrobenzene-1,3-diol
Chemical Structure Depiction of
4-({[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-2,6-dinitrobenzene-1,3-diol
4-({[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-2,6-dinitrobenzene-1,3-diol
Compound characteristics
| Compound ID: | 8005-6383 |
| Compound Name: | 4-({[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-2,6-dinitrobenzene-1,3-diol |
| Molecular Weight: | 434.36 |
| Molecular Formula: | C21 H14 N4 O7 |
| Smiles: | Cc1ccccc1c1nc2cc(ccc2o1)/N=C/c1cc(c(c(c1O)[N+]([O-])=O)O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9979 |
| logD: | -0.0673 |
| logSw: | -4.5902 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.995 |
| InChI Key: | BJJLELZFYNMMBV-UHFFFAOYSA-N |