2-({[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-nitrophenol
Chemical Structure Depiction of
2-({[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-nitrophenol
2-({[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-nitrophenol
Compound characteristics
| Compound ID: | 0957-0318 |
| Compound Name: | 2-({[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-nitrophenol |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C22 H17 N3 O4 |
| Smiles: | Cc1cc(C)cc(c1)c1nc2cc(ccc2o1)/N=C/c1cc(ccc1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3538 |
| logD: | 3.5024 |
| logSw: | -5.2663 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.106 |
| InChI Key: | KCLODWDRKALKKQ-UHFFFAOYSA-N |