5-bromo-2-(2,4-dinitrobenzamido)phenyl 2,4-dinitrobenzoate
Chemical Structure Depiction of
5-bromo-2-(2,4-dinitrobenzamido)phenyl 2,4-dinitrobenzoate
5-bromo-2-(2,4-dinitrobenzamido)phenyl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 8002-5378 |
| Compound Name: | 5-bromo-2-(2,4-dinitrobenzamido)phenyl 2,4-dinitrobenzoate |
| Molecular Weight: | 576.23 |
| Molecular Formula: | C20 H10 Br N5 O11 |
| Smiles: | c1cc(C(Nc2ccc(cc2OC(c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)=O)[Br])=O)c(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6789 |
| logD: | 2.6055 |
| logSw: | -4.7676 |
| Hydrogen bond acceptors count: | 21 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.02 |
| InChI Key: | ABTZHQYKRZUMPD-UHFFFAOYSA-N |