4-nitro-N-{4-[6-(4-nitrobenzamido)-1,3-benzothiazol-2-yl]phenyl}benzamide
Chemical Structure Depiction of
4-nitro-N-{4-[6-(4-nitrobenzamido)-1,3-benzothiazol-2-yl]phenyl}benzamide
4-nitro-N-{4-[6-(4-nitrobenzamido)-1,3-benzothiazol-2-yl]phenyl}benzamide
Compound characteristics
| Compound ID: | 0717-0919 |
| Compound Name: | 4-nitro-N-{4-[6-(4-nitrobenzamido)-1,3-benzothiazol-2-yl]phenyl}benzamide |
| Molecular Weight: | 539.53 |
| Molecular Formula: | C27 H17 N5 O6 S |
| Smiles: | c1cc(ccc1C(Nc1ccc(cc1)c1nc2ccc(cc2s1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8367 |
| logD: | 5.836 |
| logSw: | -5.9963 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.633 |
| InChI Key: | UORBEDMAWCDADK-UHFFFAOYSA-N |