N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,4-dinitrobenzamide
Chemical Structure Depiction of
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,4-dinitrobenzamide
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,4-dinitrobenzamide
Compound characteristics
| Compound ID: | 2154-0765 |
| Compound Name: | N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,4-dinitrobenzamide |
| Molecular Weight: | 434.43 |
| Molecular Formula: | C21 H14 N4 O5 S |
| Smiles: | Cc1ccc(cc1NC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0996 |
| logD: | 5.0845 |
| logSw: | -4.8833 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.543 |
| InChI Key: | CCVWZFZHZWMLID-UHFFFAOYSA-N |