4-({[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)-2,6-dinitrobenzene-1,3-diol
Chemical Structure Depiction of
4-({[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)-2,6-dinitrobenzene-1,3-diol
4-({[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)-2,6-dinitrobenzene-1,3-diol
Compound characteristics
| Compound ID: | 8005-6174 |
| Compound Name: | 4-({[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)-2,6-dinitrobenzene-1,3-diol |
| Molecular Weight: | 450.43 |
| Molecular Formula: | C21 H14 N4 O6 S |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(cc1)/N=C/c1cc(c(c(c1O)[N+]([O-])=O)O)[N+]([O-])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.6812 |
| logD: | 0.616 |
| logSw: | -5.328 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.633 |
| InChI Key: | WLBWUKVURIQKKI-UHFFFAOYSA-N |