4-{[(2-methoxyphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
4-{[(2-methoxyphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
4-{[(2-methoxyphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8003-9044 |
| Compound Name: | 4-{[(2-methoxyphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 421.36 |
| Molecular Formula: | C21 H15 N3 O7 |
| Smiles: | COc1ccccc1/N=C/c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7162 |
| logD: | 3.7158 |
| logSw: | -4.113 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 102.439 |
| InChI Key: | TWCDSZWOKCAVJY-UHFFFAOYSA-N |