3-nitro-N-{4-[5-(3-nitrobenzamido)-1,3-benzoxazol-2-yl]phenyl}benzamide
Chemical Structure Depiction of
3-nitro-N-{4-[5-(3-nitrobenzamido)-1,3-benzoxazol-2-yl]phenyl}benzamide
3-nitro-N-{4-[5-(3-nitrobenzamido)-1,3-benzoxazol-2-yl]phenyl}benzamide
Compound characteristics
| Compound ID: | K806-0092 |
| Compound Name: | 3-nitro-N-{4-[5-(3-nitrobenzamido)-1,3-benzoxazol-2-yl]phenyl}benzamide |
| Molecular Weight: | 523.46 |
| Molecular Formula: | C27 H17 N5 O7 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(Nc1ccc(cc1)c1nc2cc(ccc2o1)NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2693 |
| logD: | 5.2529 |
| logSw: | -5.6774 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.994 |
| InChI Key: | UPFZMDBGWWKVOE-UHFFFAOYSA-N |