4-benzyl-2-({[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
4-benzyl-2-({[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl)-6-nitrophenol
4-benzyl-2-({[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 1812-0673 |
| Compound Name: | 4-benzyl-2-({[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 497.94 |
| Molecular Formula: | C28 H20 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1/N=C/c1cc(Cc2ccccc2)cc(c1O)[N+]([O-])=O)c1nc2cc(ccc2o1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.6293 |
| logD: | 5.8272 |
| logSw: | -6.1035 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.767 |
| InChI Key: | JYAFRWWUHNBUGW-UHFFFAOYSA-N |