2-({[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
2-({[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol
2-({[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 8001-4649 |
| Compound Name: | 2-({[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C22 H17 N3 O4 |
| Smiles: | Cc1cc2c(cc1C)oc(c1cccc(c1)/N=C/c1cccc(c1O)[N+]([O-])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.6013 |
| logD: | 3.7214 |
| logSw: | -5.4757 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.736 |
| InChI Key: | LHGKSRWSCCIPPK-UHFFFAOYSA-N |