1-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
Chemical Structure Depiction of
1-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
1-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
Compound characteristics
| Compound ID: | 8004-4586 |
| Compound Name: | 1-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine |
| Molecular Weight: | 554.58 |
| Molecular Formula: | C29 H22 N4 O6 S |
| Smiles: | CCOc1cc(/C=N/c2ccc(cc2)c2nc3cc(C)ccc3s2)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 7.0126 |
| logD: | 7.0064 |
| logSw: | -5.7443 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.408 |
| InChI Key: | MSXRXKNFMSYKSZ-UHFFFAOYSA-N |