3-{[(2,4-dimethylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-{[(2,4-dimethylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
3-{[(2,4-dimethylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8002-1577 |
| Compound Name: | 3-{[(2,4-dimethylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 419.39 |
| Molecular Formula: | C22 H17 N3 O6 |
| Smiles: | Cc1ccc(c(C)c1)/N=C/c1cccc(c1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1926 |
| logD: | 5.1919 |
| logSw: | -5.1973 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.809 |
| InChI Key: | DPNMAFUSIMXAQA-UHFFFAOYSA-N |