2-({[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
Chemical Structure Depiction of
2-({[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
2-({[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
Compound characteristics
| Compound ID: | 8005-7749 |
| Compound Name: | 2-({[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol |
| Molecular Weight: | 418.36 |
| Molecular Formula: | C21 H14 N4 O6 |
| Smiles: | Cc1cccc2c1nc(c1cccc(c1)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.2819 |
| logD: | 0.4545 |
| logSw: | -5.3379 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.888 |
| InChI Key: | IVFXFCRLMNOXAN-UHFFFAOYSA-N |