3-methoxy-4,6-dinitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-methoxy-4,6-dinitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-methoxy-4,6-dinitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8010-4519 |
| Compound Name: | 3-methoxy-4,6-dinitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 287.2 |
| Molecular Formula: | C8 H5 N3 O7 S |
| Smiles: | COC1c2c(cc(cc2S(N=1)(=O)=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.6493 |
| logD: | 0.6493 |
| logSw: | -1.8455 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 115.394 |
| InChI Key: | BGNJLEQJVPUZJD-UHFFFAOYSA-N |