2-({[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
Chemical Structure Depiction of
2-({[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
2-({[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol
Compound characteristics
Compound ID: | 8002-9292 |
Compound Name: | 2-({[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl)-4,6-dinitrophenol |
Molecular Weight: | 420.4 |
Molecular Formula: | C20 H12 N4 O5 S |
Smiles: | C(\c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)=N/c1ccc(cc1)c1nc2ccccc2s1 |
Stereo: | ACHIRAL |
logP: | 5.327 |
logD: | 0.4997 |
logSw: | -5.6732 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 99.756 |
InChI Key: | NZYSBBKXBVWZEY-UHFFFAOYSA-N |