2-({[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
Chemical Structure Depiction of
2-({[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
2-({[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
Compound characteristics
| Compound ID: | 8001-7077 |
| Compound Name: | 2-({[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol |
| Molecular Weight: | 418.36 |
| Molecular Formula: | C21 H14 N4 O6 |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(cc1)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.0587 |
| logD: | 0.2314 |
| logSw: | -4.6203 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.117 |
| InChI Key: | KOKWFJJLBFCCIX-UHFFFAOYSA-N |