5,7-dinitro-2-phenyl-1lambda~6~,4-benzothiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
5,7-dinitro-2-phenyl-1lambda~6~,4-benzothiazine-1,1,3(2H,4H)-trione
5,7-dinitro-2-phenyl-1lambda~6~,4-benzothiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | 8009-9621 |
| Compound Name: | 5,7-dinitro-2-phenyl-1lambda~6~,4-benzothiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 363.3 |
| Molecular Formula: | C14 H9 N3 O7 S |
| Smiles: | c1ccc(cc1)C1C(Nc2c(cc(cc2S1(=O)=O)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7164 |
| logD: | -2.7474 |
| logSw: | -2.5961 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.035 |
| InChI Key: | AUYAEXPFHQHAQM-ZDUSSCGKSA-N |