2-chloro-N-{4-[5-(2-chloro-4-nitrobenzamido)-1,3-benzoxazol-2-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-{4-[5-(2-chloro-4-nitrobenzamido)-1,3-benzoxazol-2-yl]phenyl}-4-nitrobenzamide
2-chloro-N-{4-[5-(2-chloro-4-nitrobenzamido)-1,3-benzoxazol-2-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | K806-0049 |
| Compound Name: | 2-chloro-N-{4-[5-(2-chloro-4-nitrobenzamido)-1,3-benzoxazol-2-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 592.35 |
| Molecular Formula: | C27 H15 Cl2 N5 O7 |
| Smiles: | c1cc(ccc1c1nc2cc(ccc2o1)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3295 |
| logD: | 6.3141 |
| logSw: | -6.4882 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.994 |
| InChI Key: | ZOZACDXAIVWUOO-UHFFFAOYSA-N |