4-{[(2-ethylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
4-{[(2-ethylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
4-{[(2-ethylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8003-1886 |
| Compound Name: | 4-{[(2-ethylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 419.39 |
| Molecular Formula: | C22 H17 N3 O6 |
| Smiles: | CCc1ccccc1/N=C/c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6694 |
| logD: | 4.6688 |
| logSw: | -4.4701 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.809 |
| InChI Key: | VNPOGFCGTOXJKD-UHFFFAOYSA-N |