N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-methyl-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-methyl-3,5-dinitrobenzamide
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-methyl-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 2154-0759 |
| Compound Name: | N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-methyl-3,5-dinitrobenzamide |
| Molecular Weight: | 448.46 |
| Molecular Formula: | C22 H16 N4 O5 S |
| Smiles: | Cc1ccc(cc1NC(c1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1823 |
| logD: | 5.1737 |
| logSw: | -5.0883 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.242 |
| InChI Key: | KNMWZPITPQYRPL-UHFFFAOYSA-N |