4-bromo-2-nitro-6-({[(3,5,7-trimethyladamantan-1-yl)methyl]imino}methyl)phenol
Chemical Structure Depiction of
4-bromo-2-nitro-6-({[(3,5,7-trimethyladamantan-1-yl)methyl]imino}methyl)phenol
4-bromo-2-nitro-6-({[(3,5,7-trimethyladamantan-1-yl)methyl]imino}methyl)phenol
Compound characteristics
| Compound ID: | 0573-2258 |
| Compound Name: | 4-bromo-2-nitro-6-({[(3,5,7-trimethyladamantan-1-yl)methyl]imino}methyl)phenol |
| Molecular Weight: | 435.36 |
| Molecular Formula: | C21 H27 Br N2 O3 |
| Smiles: | CC12CC3(C)CC(C)(C1)CC(C2)(C3)C/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.7576 |
| logD: | 5.9095 |
| logSw: | -5.73 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.493 |
| InChI Key: | ZJICJIYEAGKKDW-UHFFFAOYSA-N |