3-({[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-({[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)phenyl 3,5-dinitrobenzoate
3-({[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8005-6396 |
| Compound Name: | 3-({[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 538.47 |
| Molecular Formula: | C28 H18 N4 O8 |
| Smiles: | Cc1ccc2c(c1)nc(c1cc(ccc1O)/N=C/c1cccc(c1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.9612 |
| logD: | 5.9596 |
| logSw: | -5.3682 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.865 |
| InChI Key: | SLXYTWMWZHMDRX-UHFFFAOYSA-N |