2-({[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
Chemical Structure Depiction of
2-({[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
2-({[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
Compound characteristics
| Compound ID: | 1209-0045 |
| Compound Name: | 2-({[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol |
| Molecular Weight: | 460.45 |
| Molecular Formula: | C24 H20 N4 O6 |
| Smiles: | CC(C)(C)c1ccc2c(c1)nc(c1ccc(cc1)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 6.2461 |
| logD: | 1.4188 |
| logSw: | -5.4614 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.117 |
| InChI Key: | XIJJREBJBDZHFT-UHFFFAOYSA-N |