2-({[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol
Chemical Structure Depiction of
2-({[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol
2-({[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol
Compound characteristics
| Compound ID: | 8004-9993 |
| Compound Name: | 2-({[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol |
| Molecular Weight: | 418.36 |
| Molecular Formula: | C21 H14 N4 O6 |
| Smiles: | Cc1ccccc1c1nc2cc(ccc2o1)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0491 |
| logD: | 0.2218 |
| logSw: | -4.5719 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.117 |
| InChI Key: | WLUWOULYGFVRFE-UHFFFAOYSA-N |