N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 0848-0260 |
| Compound Name: | N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide |
| Molecular Weight: | 434.43 |
| Molecular Formula: | C21 H14 N4 O5 S |
| Smiles: | Cc1ccc2c(c1)sc(c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.3983 |
| logD: | 5.3936 |
| logSw: | -5.3635 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.542 |
| InChI Key: | RXVJGPICRIIDEA-UHFFFAOYSA-N |