dimethyl 4,6-dinitro-1,1-dioxo-1,2-dihydro-3H-1lambda~6~,3-benzothiazole-2,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 4,6-dinitro-1,1-dioxo-1,2-dihydro-3H-1lambda~6~,3-benzothiazole-2,3-dicarboxylate
dimethyl 4,6-dinitro-1,1-dioxo-1,2-dihydro-3H-1lambda~6~,3-benzothiazole-2,3-dicarboxylate
Compound characteristics
| Compound ID: | 8009-9863 |
| Compound Name: | dimethyl 4,6-dinitro-1,1-dioxo-1,2-dihydro-3H-1lambda~6~,3-benzothiazole-2,3-dicarboxylate |
| Molecular Weight: | 375.27 |
| Molecular Formula: | C11 H9 N3 O10 S |
| Smiles: | COC(C1N(C(=O)OC)c2c(cc(cc2S1(=O)=O)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7711 |
| logD: | 0.7711 |
| logSw: | -1.7458 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 139.758 |
| InChI Key: | ACFLFOHSCOTJNS-VIFPVBQESA-N |