2-nitro-N-{4-[5-(2-nitrobenzamido)-1,3-benzoxazol-2-yl]phenyl}benzamide
Chemical Structure Depiction of
2-nitro-N-{4-[5-(2-nitrobenzamido)-1,3-benzoxazol-2-yl]phenyl}benzamide
2-nitro-N-{4-[5-(2-nitrobenzamido)-1,3-benzoxazol-2-yl]phenyl}benzamide
Compound characteristics
| Compound ID: | K806-0095 |
| Compound Name: | 2-nitro-N-{4-[5-(2-nitrobenzamido)-1,3-benzoxazol-2-yl]phenyl}benzamide |
| Molecular Weight: | 523.46 |
| Molecular Formula: | C27 H17 N5 O7 |
| Smiles: | c1ccc(c(c1)C(Nc1ccc(cc1)c1nc2cc(ccc2o1)NC(c1ccccc1[N+]([O-])=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.755 |
| logD: | 4.5026 |
| logSw: | -4.9173 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.392 |
| InChI Key: | RVUZCBXRLIGBEL-UHFFFAOYSA-N |