4,6-dinitro-1-oxo-7-(2,4,6-trimethoxyphenyl)-2,1lambda~5~,3-benzoxadiazole
Chemical Structure Depiction of
4,6-dinitro-1-oxo-7-(2,4,6-trimethoxyphenyl)-2,1lambda~5~,3-benzoxadiazole
4,6-dinitro-1-oxo-7-(2,4,6-trimethoxyphenyl)-2,1lambda~5~,3-benzoxadiazole
Compound characteristics
| Compound ID: | S400-0035 |
| Compound Name: | 4,6-dinitro-1-oxo-7-(2,4,6-trimethoxyphenyl)-2,1lambda~5~,3-benzoxadiazole |
| Molecular Weight: | 392.28 |
| Molecular Formula: | C15 H12 N4 O9 |
| Smiles: | COc1cc(c(c(c1)OC)c1c(cc(c2c1[n+]([O-])on2)[N+]([O-])=O)[N+]([O-])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0677 |
| logD: | 2.0677 |
| logSw: | -2.091 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 130.2 |
| InChI Key: | PRMPPTICPMYAPN-UHFFFAOYSA-N |