2-({[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
Chemical Structure Depiction of
2-({[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
2-({[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
Compound characteristics
| Compound ID: | 8002-0121 |
| Compound Name: | 2-({[3-(6-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)oc(c1cccc(c1)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.1704 |
| logD: | 0.3431 |
| logSw: | -5.0464 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.117 |
| InChI Key: | UUDPWPKGBYIDMS-UHFFFAOYSA-N |