3-({[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-({[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)phenyl 3,5-dinitrobenzoate
3-({[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8005-6403 |
| Compound Name: | 3-({[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 538.54 |
| Molecular Formula: | C28 H18 N4 O6 S |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(cc1)/N=C/c1cccc(c1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.3798 |
| logD: | 6.3794 |
| logSw: | -5.618 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 104.956 |
| InChI Key: | RBUCNTDTEBPBRE-UHFFFAOYSA-N |