N-{4-[5-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[5-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-yl]phenyl}-4-nitrobenzamide
N-{4-[5-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | 3109-1775 |
| Compound Name: | N-{4-[5-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 475.46 |
| Molecular Formula: | C27 H17 N5 O4 |
| Smiles: | c1ccc2c(c1)nc(c1ccc3c(c1)nc(c1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O)[nH]3)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.8768 |
| logD: | 5.8767 |
| logSw: | -6.0158 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.541 |
| InChI Key: | GLXBFPCFOJUPEQ-UHFFFAOYSA-N |