4-bromo-2-[(E)-{[(3-methyladamantan-1-yl)methyl]imino}methyl]-6-nitrophenol
Chemical Structure Depiction of
4-bromo-2-[(E)-{[(3-methyladamantan-1-yl)methyl]imino}methyl]-6-nitrophenol
4-bromo-2-[(E)-{[(3-methyladamantan-1-yl)methyl]imino}methyl]-6-nitrophenol
Compound characteristics
| Compound ID: | 0832-2672 |
| Compound Name: | 4-bromo-2-[(E)-{[(3-methyladamantan-1-yl)methyl]imino}methyl]-6-nitrophenol |
| Molecular Weight: | 407.31 |
| Molecular Formula: | C19 H23 Br N2 O3 |
| Smiles: | CC12CC3CC(C1)CC(C3)(C2)C/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1834 |
| logD: | 5.3353 |
| logSw: | -5.5343 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.493 |
| InChI Key: | OSCBDNZTQBOVGO-UHFFFAOYSA-N |